CID 75926

2712-93-8

Structural Information

Molecular Formula
CCl3FS
SMILES
C(F)(SCl)(Cl)Cl
InChI
InChI=1S/CCl3FS/c2-1(3,5)6-4
InChIKey
KDRSHFSCTSFYGH-UHFFFAOYSA-N
Compound name
[dichloro(fluoro)methyl] thiohypochlorite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

332
Patents

167.87703 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.88431 120.8
[M+Na]+ 190.86625 130.8
[M-H]- 166.86975 119.5
[M+NH4]+ 185.91085 142.8
[M+K]+ 206.84019 126.6
[M+H-H2O]+ 150.87429 119.1
[M+HCOO]- 212.87523 123.3
[M+CH3COO]- 226.89088 174.2
[M+Na-2H]- 188.85170 124.6
[M]+ 167.87648 122.4
[M]- 167.87758 122.4
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