CID 17775

Chlorothioformic acid

Structural Information

Molecular Formula
CHClOS
SMILES
C(=O)(S)Cl
InChI
InChI=1S/CHClOS/c2-1(3)4/h(H,3,4)
InChIKey
KTRFZWJCHOQHMN-UHFFFAOYSA-N
Compound name
chloromethanethioic S-acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2716
Patents

95.943665 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 96.950941 108.9
[M+Na]+ 118.93288 118.9
[M-H]- 94.936389 110.4
[M+NH4]+ 113.97749 133.7
[M+K]+ 134.90682 117.3
[M+H-H2O]+ 78.940925 106.4
[M+HCOO]- 140.94187 123.7
[M+CH3COO]- 154.95752 161.9
[M+Na-2H]- 116.91833 113.4
[M]+ 95.943116 112.1
[M]- 95.944214 112.1
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