CID 17763166

11:2 fluorotelomer carboxylic acid

Structural Information

Molecular Formula
C13H3F23O2
SMILES
C(C(=O)O)C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H3F23O2/c14-3(15,1-2(37)38)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)13(34,35)36/h1H2,(H,37,38)
InChIKey
HLWBNHUBSITGAE-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-tricosafluorotridecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

627.97656 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 628.98384 184.5
[M+Na]+ 650.96578 188.2
[M-H]- 626.96928 195.4
[M+NH4]+ 646.01038 195.8
[M+K]+ 666.93972 200.8
[M+H-H2O]+ 610.97382 171.6
[M+HCOO]- 672.97476 201.2
[M+CH3COO]- 686.99041 253.0
[M+Na-2H]- 648.95123 185.1
[M]+ 627.97601 182.5
[M]- 627.97711 182.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe