CID 3018086

23249-96-9

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

109
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 138.0
[M+Na]+ 216.03144 150.6
[M+NH4]+ 211.07604 145.1
[M+K]+ 232.00538 145.0
[M-H]- 192.03494 139.6
[M+Na-2H]- 214.01689 144.8
[M]+ 193.04167 140.4
[M]- 193.04277 140.4
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