CID 570059

4231-62-3

Structural Information

Molecular Formula
C13H9N3O
SMILES
C1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3N=N2
InChI
InChI=1S/C13H9N3O/c17-13(10-6-2-1-3-7-10)16-12-9-5-4-8-11(12)14-15-16/h1-9H
InChIKey
UJEMOXPSTTXLRE-UHFFFAOYSA-N
Compound name
benzotriazol-1-yl(phenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

71
Patents

223.07455 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.08183 147.2
[M+Na]+ 246.06377 157.6
[M-H]- 222.06727 151.6
[M+NH4]+ 241.10837 163.9
[M+K]+ 262.03771 153.0
[M+H-H2O]+ 206.07181 138.0
[M+HCOO]- 268.07275 169.3
[M+CH3COO]- 282.08840 160.2
[M+Na-2H]- 244.04922 155.2
[M]+ 223.07400 148.8
[M]- 223.07510 148.8
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

No patent data available for this compound.