CID 1072909

27143-76-6

Structural Information

Molecular Formula
C7H5ClN4S
SMILES
C1=CC(=CC=C1N2C(=S)N=NN2)Cl
InChI
InChI=1S/C7H5ClN4S/c8-5-1-3-6(4-2-5)12-7(13)9-10-11-12/h1-4H,(H,9,11,13)
InChIKey
QPTIWFZSPZVBEW-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2H-tetrazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

184
Patents

211.99234 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.99962 139.8
[M+Na]+ 234.98156 152.6
[M-H]- 210.98506 141.1
[M+NH4]+ 230.02616 156.1
[M+K]+ 250.95550 146.2
[M+H-H2O]+ 194.98960 132.3
[M+HCOO]- 256.99054 151.0
[M+CH3COO]- 271.00619 152.5
[M+Na-2H]- 232.96701 142.6
[M]+ 211.99179 141.4
[M]- 211.99289 141.4
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