CID 11666

Perchloromethyl mercaptan

Structural Information

Molecular Formula
CCl4S
SMILES
C(SCl)(Cl)(Cl)Cl
InChI
InChI=1S/CCl4S/c2-1(3,4)6-5
InChIKey
RYFZYYUIAZYQLC-UHFFFAOYSA-N
Compound name
trichloromethyl thiohypochlorite
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

3
References

1380
Patents

183.84749 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.85477 128.6
[M+Na]+ 206.83671 137.8
[M-H]- 182.84021 127.1
[M+NH4]+ 201.88131 149.2
[M+K]+ 222.81065 133.5
[M+H-H2O]+ 166.84475 128.2
[M+HCOO]- 228.84569 126.5
[M+CH3COO]- 242.86134 177.9
[M+Na-2H]- 204.82216 131.2
[M]+ 183.84694 129.6
[M]- 183.84804 129.6
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