CID 122392555

2-(4-chloro-perfluorobutoxy)-perfluoroethanesulfonic acid

Structural Information

Molecular Formula
C6HClF12O4S
SMILES
C(C(C(F)(F)Cl)(F)F)(C(OC(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F
InChI
InChI=1S/C6HClF12O4S/c7-3(12,13)1(8,9)2(10,11)4(14,15)23-5(16,17)6(18,19)24(20,21)22/h(H,20,21,22)
InChIKey
FQCZAOVFXUUAHV-UHFFFAOYSA-N
Compound name
2-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutoxy)-1,1,2,2-tetrafluoroethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

431.90924 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.91652 165.9
[M+Na]+ 454.89846 175.0
[M-H]- 430.90196 152.2
[M+NH4]+ 449.94306 157.9
[M+K]+ 470.87240 171.0
[M+H-H2O]+ 414.90650 154.0
[M+HCOO]- 476.90744 172.2
[M+CH3COO]- 490.92309 216.4
[M+Na-2H]- 452.88391 171.4
[M]+ 431.90869 152.8
[M]- 431.90979 152.8
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

No patent data available for this compound.