CID 532507

4-cyanophenyl 4-methylbenzoate

Structural Information

Molecular Formula
C15H11NO2
SMILES
CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N
InChI
InChI=1S/C15H11NO2/c1-11-2-6-13(7-3-11)15(17)18-14-8-4-12(10-16)5-9-14/h2-9H,1H3
InChIKey
QIAWNOODTBZTGG-UHFFFAOYSA-N
Compound name
(4-cyanophenyl) 4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

176
Patents

237.07898 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.086256 156.8
[M+Na]+ 260.068198 167.3
[M-H]- 236.071704 162.5
[M+NH4]+ 255.112803 172.5
[M+K]+ 276.042138 162.1
[M+H-H2O]+ 220.076240 143.1
[M+HCOO]- 282.077181 176.7
[M+CH3COO]- 296.092831 203.0
[M+Na-2H]- 258.053646 160.8
[M]+ 237.07843142 152.9
[M]- 237.07952858 152.9
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