CID 6390

Trichloromethanethiol

Structural Information

Molecular Formula
CHCl3S
SMILES
C(S)(Cl)(Cl)Cl
InChI
InChI=1S/CHCl3S/c2-1(3,4)5/h5H
InChIKey
ILSVYQNRDXIWLK-UHFFFAOYSA-N
Compound name
trichloromethanethiol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

1004
Patents

149.88646 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.89374 128.8
[M+Na]+ 172.87568 141.5
[M+NH4]+ 167.92028 138.7
[M+K]+ 188.84962 132.9
[M-H]- 148.87918 128.7
[M+Na-2H]- 170.86113 133.5
[M]+ 149.88591 131.9
[M]- 149.88701 131.9
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