CID 68905450

916051-82-6

Structural Information

Molecular Formula
C7H6ClN5
SMILES
C1=CC(=C(C=C1C2=NNN=N2)N)Cl
InChI
InChI=1S/C7H6ClN5/c8-5-2-1-4(3-6(5)9)7-10-12-13-11-7/h1-3H,9H2,(H,10,11,12,13)
InChIKey
UNNASRAFQFFILA-UHFFFAOYSA-N
Compound name
2-chloro-5-(2H-tetrazol-5-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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

No literature data available for this compound.

Patent stripe

patents stripe