CID 100374

55591-23-6

Structural Information

Molecular Formula
C6ClF13O2S
SMILES
C(C(C(C(F)(F)S(=O)(=O)Cl)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6ClF13O2S/c7-23(21,22)6(19,20)4(14,15)2(10,11)1(8,9)3(12,13)5(16,17)18
InChIKey
DVRQSALCLMEVIH-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

82
Patents

417.91 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.91728 164.5
[M+Na]+ 440.89922 174.6
[M-H]- 416.90272 151.2
[M+NH4]+ 435.94382 174.8
[M+K]+ 456.87316 169.9
[M+H-H2O]+ 400.90726 151.6
[M+HCOO]- 462.90820 156.6
[M+CH3COO]- 476.92385 217.3
[M+Na-2H]- 438.88467 168.5
[M]+ 417.90945 149.0
[M]- 417.91055 149.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe