CID 2759331

1-(4-hydroxyphenyl)thiourea

Structural Information

Molecular Formula
C7H8N2OS
SMILES
C1=CC(=CC=C1NC(=S)N)O
InChI
InChI=1S/C7H8N2OS/c8-7(11)9-5-1-3-6(10)4-2-5/h1-4,10H,(H3,8,9,11)
InChIKey
QICKOOCQSYZYQB-UHFFFAOYSA-N
Compound name
(4-hydroxyphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

141
Patents

168.03574 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04302 132.4
[M+Na]+ 191.02496 139.5
[M-H]- 167.02846 134.5
[M+NH4]+ 186.06956 151.8
[M+K]+ 206.99890 135.8
[M+H-H2O]+ 151.03300 126.5
[M+HCOO]- 213.03394 151.3
[M+CH3COO]- 227.04959 178.2
[M+Na-2H]- 189.01041 135.7
[M]+ 168.03519 129.6
[M]- 168.03629 129.6
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