CID 3315228

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

Structural Information

Molecular Formula
C14H10F2O2
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC(F)F
InChI
InChI=1S/C14H10F2O2/c15-14(16)18-12-8-6-11(7-9-12)13(17)10-4-2-1-3-5-10/h1-9,14H
InChIKey
IFRJKOYSMCZOKL-UHFFFAOYSA-N
Compound name
[4-(difluoromethoxy)phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

248.06488 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.07216 151.4
[M+Na]+ 271.05410 158.7
[M-H]- 247.05760 155.5
[M+NH4]+ 266.09870 168.0
[M+K]+ 287.02804 155.3
[M+H-H2O]+ 231.06214 142.2
[M+HCOO]- 293.06308 172.3
[M+CH3COO]- 307.07873 193.5
[M+Na-2H]- 269.03955 155.1
[M]+ 248.06433 149.6
[M]- 248.06543 149.6
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

patents stripe