PubChemLite - F-53b (9:2 cl-pfaes) (C11HClF22O4S)

Structural Information

Molecular Formula

SMILES

C(C(C(C(C(OC(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C11HClF22O4S/c12-8(27,28)6(23,24)4(19,20)2(15,16)1(13,14)3(17,18)5(21,22)7(25,26)9(29,30)38-10(31,32)11(33,34)39(35,36)37/h(H,35,36,37)

InChIKey

KARWVAKOXGORNB-UHFFFAOYSA-N

Compound name

2-(9-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecafluorononoxy)-1,1,2,2-tetrafluoroethanesulfonic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	682.90053	185.2
[M+Na]+	704.88247	186.9
[M-H]-	680.88597	196.4
[M+NH4]+	699.92707	197.3
[M+K]+	720.85641	200.4
[M+H-H2O]+	664.89051	171.4
[M+HCOO]-	726.89145	204.1
[M+CH3COO]-	740.90710	253.8
[M+Na-2H]-	702.86792	185.4
[M]+	681.89270	189.0
[M]-	681.89380	189.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

682.90053

185.2

[M+Na]+

704.88247

186.9

[M-H]-

680.88597

196.4

[M+NH4]+

699.92707

197.3

[M+K]+

720.85641

200.4

[M+H-H2O]+

664.89051

171.4

[M+HCOO]-

726.89145

204.1

[M+CH3COO]-

740.90710

253.8

[M+Na-2H]-

702.86792

185.4

[M]+

681.89270

189.0

[M]-

681.89380

189.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

F-53b (9:2 cl-pfaes)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe