CID 28401532

5-chloro-2-[(1-methyl-1h-1,2,3,4-tetrazol-5-yl)sulfanyl]aniline

Structural Information

Molecular Formula
C8H8ClN5S
SMILES
CN1C(=NN=N1)SC2=C(C=C(C=C2)Cl)N
InChI
InChI=1S/C8H8ClN5S/c1-14-8(11-12-13-14)15-7-3-2-5(9)4-6(7)10/h2-4H,10H2,1H3
InChIKey
MIYSDESIDYVDQL-UHFFFAOYSA-N
Compound name
5-chloro-2-(1-methyltetrazol-5-yl)sulfanylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.01889 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.02617 148.6
[M+Na]+ 264.00811 161.0
[M-H]- 240.01161 150.9
[M+NH4]+ 259.05271 164.1
[M+K]+ 279.98205 155.2
[M+H-H2O]+ 224.01615 140.5
[M+HCOO]- 286.01709 161.1
[M+CH3COO]- 300.03274 161.0
[M+Na-2H]- 261.99356 150.4
[M]+ 241.01834 151.8
[M]- 241.01944 151.8
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

No patent data available for this compound.