CID 3021589

Tridecafluorohexanesulphenyl chloride

Structural Information

Molecular Formula
C6ClF13S
SMILES
C(C(C(C(F)(F)SCl)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6ClF13S/c7-21-6(19,20)4(14,15)2(10,11)1(8,9)3(12,13)5(16,17)18
InChIKey
BEDWVNVYPXSFLZ-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl thiohypochlorite
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

385.92017 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.92745 160.1
[M+Na]+ 408.90939 169.8
[M-H]- 384.91289 146.3
[M+NH4]+ 403.95399 171.8
[M+K]+ 424.88333 164.6
[M+H-H2O]+ 368.91743 146.7
[M+HCOO]- 430.91837 152.6
[M+CH3COO]- 444.93402 215.0
[M+Na-2H]- 406.89484 161.8
[M]+ 385.91962 143.9
[M]- 385.92072 143.9
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