CID 138394286

1-chloroperfluorohexanesulfonic acid

Structural Information

Molecular Formula
C6HClF12O3S
SMILES
C(C(C(C(F)(S(=O)(=O)O)Cl)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6HClF12O3S/c7-5(16,23(20,21)22)3(12,13)1(8,9)2(10,11)4(14,15)6(17,18)19/h(H,20,21,22)
InChIKey
UKYURESKXPQWHO-UHFFFAOYSA-N
Compound name
1-chloro-1,2,2,3,3,4,4,5,5,6,6,6-dodecafluorohexane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

415.91434 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.92162 163.4
[M+Na]+ 438.90356 172.8
[M-H]- 414.90706 149.7
[M+NH4]+ 433.94816 156.8
[M+K]+ 454.87750 168.2
[M+H-H2O]+ 398.91160 151.6
[M+HCOO]- 460.91254 155.2
[M+CH3COO]- 474.92819 213.9
[M+Na-2H]- 436.88901 168.3
[M]+ 415.91379 148.8
[M]- 415.91489 148.8
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.