CID 3018086

5h-tetrazole-5-thione, 1-(3-aminophenyl)-1,2-dihydro-

Structural Information

Molecular Formula
C7H7N5S
SMILES
C1=CC(=CC(=C1)N2C(=S)N=NN2)N
InChI
InChI=1S/C7H7N5S/c8-5-2-1-3-6(4-5)12-7(13)9-10-11-12/h1-4H,8H2,(H,9,11,13)
InChIKey
RGALEZGQSYLWSN-UHFFFAOYSA-N
Compound name
1-(3-aminophenyl)-2H-tetrazole-5-thione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

150
Patents

193.04222 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04950 138.2
[M+Na]+ 216.03144 149.8
[M-H]- 192.03494 139.3
[M+NH4]+ 211.07604 153.9
[M+K]+ 232.00538 144.0
[M+H-H2O]+ 176.03948 130.3
[M+HCOO]- 238.04042 154.6
[M+CH3COO]- 252.05607 150.6
[M+Na-2H]- 214.01689 141.4
[M]+ 193.04167 136.6
[M]- 193.04277 136.6
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

patents stripe