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

175
Patents

237.07898 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.08626 156.8
[M+Na]+ 260.06820 167.3
[M-H]- 236.07170 162.5
[M+NH4]+ 255.11280 172.5
[M+K]+ 276.04214 162.1
[M+H-H2O]+ 220.07624 143.1
[M+HCOO]- 282.07718 176.7
[M+CH3COO]- 296.09283 203.0
[M+Na-2H]- 258.05365 160.8
[M]+ 237.07843 152.9
[M]- 237.07953 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