CID 16773064

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

Structural Information

Molecular Formula
C7H6ClN5
SMILES
C1=CC(=C(C=C1Cl)N)N2C=NN=N2
InChI
InChI=1S/C7H6ClN5/c8-5-1-2-7(6(9)3-5)13-4-10-11-12-13/h1-4H,9H2
InChIKey
UZPPFCNITSEALV-UHFFFAOYSA-N
Compound name
5-chloro-2-(tetrazol-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

195.03117 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.03845 138.0
[M+Na]+ 218.02039 149.3
[M-H]- 194.02389 139.5
[M+NH4]+ 213.06499 154.1
[M+K]+ 233.99433 144.4
[M+H-H2O]+ 178.02843 128.8
[M+HCOO]- 240.02937 155.7
[M+CH3COO]- 254.04502 150.9
[M+Na-2H]- 216.00584 144.5
[M]+ 195.03062 138.3
[M]- 195.03172 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

No literature data available for this compound.

Patent stripe

patents stripe