CID 1550990

2-aminobenzenecarbothioamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

96
Patents

152.04082 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.04810 128.9
[M+Na]+ 175.03004 136.6
[M-H]- 151.03354 132.0
[M+NH4]+ 170.07464 149.5
[M+K]+ 191.00398 132.9
[M+H-H2O]+ 135.03808 123.1
[M+HCOO]- 197.03902 148.5
[M+CH3COO]- 211.05467 178.6
[M+Na-2H]- 173.01549 131.6
[M]+ 152.04027 125.7
[M]- 152.04137 125.7
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