CID 67664

4-fluoro-4'-methoxybenzophenone

Structural Information

Molecular Formula
C14H11FO2
SMILES
COC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C14H11FO2/c1-17-13-8-4-11(5-9-13)14(16)10-2-6-12(15)7-3-10/h2-9H,1H3
InChIKey
VWGWRNBIAWTWIB-UHFFFAOYSA-N
Compound name
(4-fluorophenyl)-(4-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

121
Patents

230.07431 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.081586 147.7
[M+Na]+ 253.063528 156.2
[M-H]- 229.067034 153.5
[M+NH4]+ 248.108133 165.6
[M+K]+ 269.037468 152.9
[M+H-H2O]+ 213.071570 139.7
[M+HCOO]- 275.072511 170.7
[M+CH3COO]- 289.088161 191.1
[M+Na-2H]- 251.048976 152.6
[M]+ 230.07376142 148.0
[M]- 230.07485858 148.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe