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

62
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 147.1
[M+Na]+ 246.06377 163.0
[M+NH4]+ 241.10837 155.5
[M+K]+ 262.03771 157.3
[M-H]- 222.06727 150.2
[M+Na-2H]- 244.04922 157.0
[M]+ 223.07400 150.3
[M]- 223.07510 150.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe