CID 576772

Phenyl 2-methylbenzoate

Structural Information

Molecular Formula
C14H12O2
SMILES
CC1=CC=CC=C1C(=O)OC2=CC=CC=C2
InChI
InChI=1S/C14H12O2/c1-11-7-5-6-10-13(11)14(15)16-12-8-3-2-4-9-12/h2-10H,1H3
InChIKey
MLBAJOWFHHXRJP-UHFFFAOYSA-N
Compound name
phenyl 2-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

220
Patents

212.08372 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.090996 145.4
[M+Na]+ 235.072938 153.0
[M-H]- 211.076444 152.3
[M+NH4]+ 230.117543 163.9
[M+K]+ 251.046878 150.1
[M+H-H2O]+ 195.080980 138.2
[M+HCOO]- 257.081921 169.5
[M+CH3COO]- 271.097571 186.6
[M+Na-2H]- 233.058386 151.6
[M]+ 212.08317142 146.3
[M]- 212.08426858 146.3
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