CID 721114

2-(4-chlorophenyl)-2h-1,2,3-benzotriazol-5-ylamine

Structural Information

Molecular Formula
C12H9ClN4
SMILES
C1=CC(=CC=C1N2N=C3C=CC(=CC3=N2)N)Cl
InChI
InChI=1S/C12H9ClN4/c13-8-1-4-10(5-2-8)17-15-11-6-3-9(14)7-12(11)16-17/h1-7H,14H2
InChIKey
GEQWBCPSXJTWRI-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)benzotriazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

22
Patents

244.05157 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.05885 151.4
[M+Na]+ 267.04079 164.1
[M-H]- 243.04429 155.6
[M+NH4]+ 262.08539 168.3
[M+K]+ 283.01473 157.1
[M+H-H2O]+ 227.04883 142.7
[M+HCOO]- 289.04977 170.1
[M+CH3COO]- 303.06542 164.4
[M+Na-2H]- 265.02624 158.5
[M]+ 244.05102 153.9
[M]- 244.05212 153.9
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

No patent data available for this compound.