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]+ 196.03845 138.4
[M+Na]+ 218.02039 149.3
[M-H]- 194.02389 138.6
[M+NH4]+ 213.06499 153.8
[M+K]+ 233.99433 143.5
[M+H-H2O]+ 178.02843 129.5
[M+HCOO]- 240.02937 154.6
[M+CH3COO]- 254.04502 150.6
[M+Na-2H]- 216.00584 144.4
[M]+ 195.03062 136.8
[M]- 195.03172 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