CID 14063018

26668-55-3

Structural Information

Molecular Formula
C7H6ClN5
SMILES
C1=CC(=C(C=C1Cl)C2=NNN=N2)N
InChI
InChI=1S/C7H6ClN5/c8-4-1-2-6(9)5(3-4)7-10-12-13-11-7/h1-3H,9H2,(H,10,11,12,13)
InChIKey
BUSUUPIMJLVUGH-UHFFFAOYSA-N
Compound name
4-chloro-2-(2H-tetrazol-5-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

195.03117 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.038446 138.4
[M+Na]+ 218.020388 149.3
[M-H]- 194.023894 138.6
[M+NH4]+ 213.064993 153.8
[M+K]+ 233.994328 143.5
[M+H-H2O]+ 178.028430 129.5
[M+HCOO]- 240.029371 154.6
[M+CH3COO]- 254.045021 150.6
[M+Na-2H]- 216.005836 144.4
[M]+ 195.03062142 136.8
[M]- 195.03171858 136.8
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