CID 733902

4-fluorophenyl 4-methylbenzoate

Structural Information

Molecular Formula
C14H11FO2
SMILES
CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)F
InChI
InChI=1S/C14H11FO2/c1-10-2-4-11(5-3-10)14(16)17-13-8-6-12(15)7-9-13/h2-9H,1H3
InChIKey
FUGVFVDWNJQJOC-UHFFFAOYSA-N
Compound name
(4-fluorophenyl) 4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

230.07431 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.081586 147.9
[M+Na]+ 253.063528 156.5
[M-H]- 229.067034 153.8
[M+NH4]+ 248.108133 165.9
[M+K]+ 269.037468 153.2
[M+H-H2O]+ 213.071570 139.9
[M+HCOO]- 275.072511 170.9
[M+CH3COO]- 289.088161 190.4
[M+Na-2H]- 251.048976 152.8
[M]+ 230.07376142 148.2
[M]- 230.07485858 148.2
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