CID 3361911

N-aminobenzenecarbothioamide

Structural Information

Molecular Formula
C7H8N2S
SMILES
C1=CC=C(C=C1)C(=S)NN
InChI
InChI=1S/C7H8N2S/c8-9-7(10)6-4-2-1-3-5-6/h1-5H,8H2,(H,9,10)
InChIKey
PNALOBAQBMAHBZ-UHFFFAOYSA-N
Compound name
benzenecarbothiohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

256
Patents

152.04082 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.048096 128.8
[M+Na]+ 175.030038 135.7
[M-H]- 151.033544 132.2
[M+NH4]+ 170.074643 149.5
[M+K]+ 191.003978 132.4
[M+H-H2O]+ 135.038080 122.8
[M+HCOO]- 197.039021 149.1
[M+CH3COO]- 211.054671 177.4
[M+Na-2H]- 173.015486 133.2
[M]+ 152.04027142 126.2
[M]- 152.04136858 126.2
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