CID 2773632

306934-77-0

Structural Information

Molecular Formula
C15H12ClFO2
SMILES
CC(=O)C1=CC=C(C=C1)OCC2=C(C=CC=C2Cl)F
InChI
InChI=1S/C15H12ClFO2/c1-10(18)11-5-7-12(8-6-11)19-9-13-14(16)3-2-4-15(13)17/h2-8H,9H2,1H3
InChIKey
DNORLLXKDXLDLS-UHFFFAOYSA-N
Compound name
1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.051 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.05828 157.7
[M+Na]+ 301.04022 167.5
[M-H]- 277.04372 163.5
[M+NH4]+ 296.08482 174.9
[M+K]+ 317.01416 162.2
[M+H-H2O]+ 261.04826 150.4
[M+HCOO]- 323.04920 175.8
[M+CH3COO]- 337.06485 198.9
[M+Na-2H]- 299.02567 160.9
[M]+ 278.05045 161.1
[M]- 278.05155 161.1
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.