CID 75990

2757-23-5

Structural Information

Molecular Formula
CCl2OS
SMILES
C(=O)(SCl)Cl
InChI
InChI=1S/CCl2OS/c2-1(4)5-3
InChIKey
MNOALXGAYUJNKX-UHFFFAOYSA-N
Compound name
S-chloro chloromethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1236
Patents

129.9047 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.91198 114.3
[M+Na]+ 152.89392 124.5
[M-H]- 128.89742 115.3
[M+NH4]+ 147.93852 138.1
[M+K]+ 168.86786 121.5
[M+H-H2O]+ 112.90196 112.8
[M+HCOO]- 174.90290 124.1
[M+CH3COO]- 188.91855 166.4
[M+Na-2H]- 150.87937 118.2
[M]+ 129.90415 118.1
[M]- 129.90525 118.1
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