CID 3056255

Carbanilic acid, m-chlorodithio-, glycolate

Structural Information

Molecular Formula
C9H8ClNO2S2
SMILES
C1=CC(=CC(=C1)Cl)NC(=S)SC(=O)CO
InChI
InChI=1S/C9H8ClNO2S2/c10-6-2-1-3-7(4-6)11-9(14)15-8(13)5-12/h1-4,12H,5H2,(H,11,14)
InChIKey
MXNAVFHTJVDNKT-UHFFFAOYSA-N
Compound name
S-[(3-chlorophenyl)carbamothioyl] 2-hydroxyethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.9685 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.97578 150.2
[M+Na]+ 283.95772 157.6
[M-H]- 259.96122 152.5
[M+NH4]+ 279.00232 167.4
[M+K]+ 299.93166 151.1
[M+H-H2O]+ 243.96576 145.7
[M+HCOO]- 305.96670 157.3
[M+CH3COO]- 319.98235 189.1
[M+Na-2H]- 281.94317 150.2
[M]+ 260.96795 152.5
[M]- 260.96905 152.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.