CID 21344295

Mebzofcp

Structural Information

Molecular Formula
C15H10FNO2
SMILES
CC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C#N)F
InChI
InChI=1S/C15H10FNO2/c1-10-2-4-11(5-3-10)15(18)19-13-7-6-12(9-17)14(16)8-13/h2-8H,1H3
InChIKey
SXALEVVTFUYPJQ-UHFFFAOYSA-N
Compound name
(4-cyano-3-fluorophenyl) 4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

206
Patents

255.06955 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.07683 157.5
[M+Na]+ 278.05877 168.7
[M-H]- 254.06227 162.2
[M+NH4]+ 273.10337 172.7
[M+K]+ 294.03271 163.3
[M+H-H2O]+ 238.06681 143.1
[M+HCOO]- 300.06775 176.5
[M+CH3COO]- 314.08340 206.5
[M+Na-2H]- 276.04422 160.4
[M]+ 255.06900 153.0
[M]- 255.07010 153.0
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