CID 67900

421-17-0

Structural Information

Molecular Formula
CClF3S
SMILES
C(F)(F)(F)SCl
InChI
InChI=1S/CClF3S/c2-6-1(3,4)5
InChIKey
RQYLOOVORNJDQX-UHFFFAOYSA-N
Compound name
trifluoromethyl thiohypochlorite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

632
Patents

135.93613 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.94341 112.3
[M+Na]+ 158.92535 122.6
[M-H]- 134.92885 109.7
[M+NH4]+ 153.96995 135.5
[M+K]+ 174.89929 120.0
[M+H-H2O]+ 118.93339 107.2
[M+HCOO]- 180.93433 123.0
[M+CH3COO]- 194.94998 168.1
[M+Na-2H]- 156.91080 116.9
[M]+ 135.93558 111.2
[M]- 135.93668 111.2
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