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 149.4
[M+Na]+ 264.00811 163.5
[M+NH4]+ 259.05271 157.2
[M+K]+ 279.98205 156.7
[M-H]- 240.01161 151.8
[M+Na-2H]- 261.99356 156.5
[M]+ 241.01834 152.7
[M]- 241.01944 152.7
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.