CID 43338264

(4-chlorophenyl)[3-(difluoromethoxy)phenyl]methanone

Structural Information

Molecular Formula
C14H9ClF2O2
SMILES
C1=CC(=CC(=C1)OC(F)F)C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H9ClF2O2/c15-11-6-4-9(5-7-11)13(18)10-2-1-3-12(8-10)19-14(16)17/h1-8,14H
InChIKey
NAPIGEFGLKTBJY-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-[3-(difluoromethoxy)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.0259 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.03318 155.7
[M+Na]+ 305.01512 164.8
[M-H]- 281.01862 160.0
[M+NH4]+ 300.05972 172.2
[M+K]+ 320.98906 159.6
[M+H-H2O]+ 265.02316 147.5
[M+HCOO]- 327.02410 172.1
[M+CH3COO]- 341.03975 198.3
[M+Na-2H]- 303.00057 158.4
[M]+ 282.02535 156.7
[M]- 282.02645 156.7
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.