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]+ 231.08159 147.9
[M+Na]+ 253.06353 156.5
[M-H]- 229.06703 153.8
[M+NH4]+ 248.10813 165.9
[M+K]+ 269.03747 153.2
[M+H-H2O]+ 213.07157 139.9
[M+HCOO]- 275.07251 170.9
[M+CH3COO]- 289.08816 190.4
[M+Na-2H]- 251.04898 152.8
[M]+ 230.07376 148.2
[M]- 230.07486 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