CID 16776053

2-chloro-5-(1h-1,2,3,4-tetrazol-1-yl)aniline

Structural Information

Molecular Formula
C7H6ClN5
SMILES
C1=CC(=C(C=C1N2C=NN=N2)N)Cl
InChI
InChI=1S/C7H6ClN5/c8-6-2-1-5(3-7(6)9)13-4-10-11-12-13/h1-4H,9H2
InChIKey
REPMWWUNJMCOJV-UHFFFAOYSA-N
Compound name
2-chloro-5-(tetrazol-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.03117 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.038446 138.0
[M+Na]+ 218.020388 149.3
[M-H]- 194.023894 139.5
[M+NH4]+ 213.064993 154.1
[M+K]+ 233.994328 144.4
[M+H-H2O]+ 178.028430 128.8
[M+HCOO]- 240.029371 155.7
[M+CH3COO]- 254.045021 150.9
[M+Na-2H]- 216.005836 144.5
[M]+ 195.03062142 138.3
[M]- 195.03171858 138.3
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

No patent data available for this compound.