CID 44606

Thiocarbamic acid, p-hydroxyphenyl ester

Structural Information

Molecular Formula
C7H7NO2S
SMILES
C1=CC(=CC=C1O)SC(=O)N
InChI
InChI=1S/C7H7NO2S/c8-7(10)11-6-3-1-5(9)2-4-6/h1-4,9H,(H2,8,10)
InChIKey
CWDSCOFTWICACB-UHFFFAOYSA-N
Compound name
S-(4-hydroxyphenyl) carbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.01974 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.02702 132.1
[M+Na]+ 192.00896 140.0
[M-H]- 168.01246 134.5
[M+NH4]+ 187.05356 151.9
[M+K]+ 207.98290 137.0
[M+H-H2O]+ 152.01700 126.6
[M+HCOO]- 214.01794 150.4
[M+CH3COO]- 228.03359 175.2
[M+Na-2H]- 189.99441 135.0
[M]+ 169.01919 131.6
[M]- 169.02029 131.6
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.