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]+ 268.108046 159.5
[M+Na]+ 290.089988 169.7
[M-H]- 266.093494 163.9
[M+NH4]+ 285.134593 174.5
[M+K]+ 306.063928 165.2
[M+H-H2O]+ 250.098030 149.9
[M+HCOO]- 312.098971 181.1
[M+CH3COO]- 326.114621 171.8
[M+Na-2H]- 288.075436 165.6
[M]+ 267.10022142 163.6
[M]- 267.10131858 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.