CID 3279303

650616-35-6

Structural Information

Molecular Formula
C15H13N3O2
SMILES
CC(=O)C1=CC=CC=C1OCN2C3=CC=CC=C3N=N2
InChI
InChI=1S/C15H13N3O2/c1-11(19)12-6-2-5-9-15(12)20-10-18-14-8-4-3-7-13(14)16-17-18/h2-9H,10H2,1H3
InChIKey
QRIUZMPHZBAUMF-UHFFFAOYSA-N
Compound name
1-[2-(benzotriazol-1-ylmethoxy)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.10077 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10805 159.5
[M+Na]+ 290.08999 169.7
[M-H]- 266.09349 163.9
[M+NH4]+ 285.13459 174.5
[M+K]+ 306.06393 165.2
[M+H-H2O]+ 250.09803 149.9
[M+HCOO]- 312.09897 181.1
[M+CH3COO]- 326.11462 171.8
[M+Na-2H]- 288.07544 165.6
[M]+ 267.10022 163.6
[M]- 267.10132 163.6
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.