CID 581477

1h-tetrazole, 1-(4-chlorophenyl)-5-methyl-

Structural Information

Molecular Formula
C8H7ClN4
SMILES
CC1=NN=NN1C2=CC=C(C=C2)Cl
InChI
InChI=1S/C8H7ClN4/c1-6-10-11-12-13(6)8-4-2-7(9)3-5-8/h2-5H,1H3
InChIKey
WNIKLJHZOJKJJQ-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-5-methyltetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

21
Patents

194.03592 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.043196 138.1
[M+Na]+ 217.025138 149.8
[M-H]- 193.028644 139.8
[M+NH4]+ 212.069743 154.8
[M+K]+ 232.999078 145.2
[M+H-H2O]+ 177.033180 128.8
[M+HCOO]- 239.034121 154.9
[M+CH3COO]- 253.049771 151.2
[M+Na-2H]- 215.010586 144.4
[M]+ 194.03537142 140.2
[M]- 194.03646858 140.2
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