CID 730679

N-phenylhydrazinecarbothioamide

Structural Information

Molecular Formula
C7H9N3S
SMILES
C1=CC=C(C=C1)NC(=S)NN
InChI
InChI=1S/C7H9N3S/c8-10-7(11)9-6-4-2-1-3-5-6/h1-5H,8H2,(H2,9,10,11)
InChIKey
KKIGUVBJOHCXSP-UHFFFAOYSA-N
Compound name
1-amino-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

22
References

926
Patents

167.05171 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.058986 132.1
[M+Na]+ 190.040928 138.1
[M-H]- 166.044434 135.3
[M+NH4]+ 185.085533 151.7
[M+K]+ 206.014868 134.7
[M+H-H2O]+ 150.048970 125.5
[M+HCOO]- 212.049911 153.3
[M+CH3COO]- 226.065561 181.8
[M+Na-2H]- 188.026376 137.0
[M]+ 167.05116142 128.5
[M]- 167.05225858 128.5
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