CID 109951

1-heptanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-n-methyl-

Structural Information

Molecular Formula

C₈H₄F₁₅NO₂S

SMILES

CNS(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C8H4F15NO2S/c1-24-27(25,26)8(22,23)6(17,18)4(13,14)2(9,10)3(11,12)5(15,16)7(19,20)21/h24H,1H3

InChIKey

KDHCALLFPWZTPN-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-methylheptane-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 3
Patents: 462.97232 Da
Monoisotopic Mass: 4.6
XlogP (predicted)

Profile

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]+	463.979596	161.3
[M+Na]+	485.961538	167.0
[M-H]-	461.965044	168.0
[M+NH4]+	481.006143	169.4
[M+K]+	501.935478	173.0
[M+H-H2O]+	445.969580	166.3
[M+HCOO]-	507.970521	181.8
[M+CH3COO]-	521.986171	229.6
[M+Na-2H]-	483.946986	185.4
[M]+	462.97177142	161.5
[M]-	462.97286858	161.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe