CID 23391162

2,4-difluorophenyl 4-methylbenzoate

Structural Information

Molecular Formula
C14H10F2O2
SMILES
CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)F)F
InChI
InChI=1S/C14H10F2O2/c1-9-2-4-10(5-3-9)14(17)18-13-7-6-11(15)8-12(13)16/h2-8H,1H3
InChIKey
WXJMUDPGHXQKIG-UHFFFAOYSA-N
Compound name
(2,4-difluorophenyl) 4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

248.06488 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.072156 150.5
[M+Na]+ 271.054098 160.1
[M-H]- 247.057604 155.4
[M+NH4]+ 266.098703 168.0
[M+K]+ 287.028038 156.4
[M+H-H2O]+ 231.062140 141.7
[M+HCOO]- 293.063081 172.4
[M+CH3COO]- 307.078731 194.3
[M+Na-2H]- 269.039546 154.0
[M]+ 248.06433142 150.0
[M]- 248.06542858 150.0
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