CID 20115037

3-[(2-cyanophenyl)methoxy]benzoic acid

Structural Information

Molecular Formula
C15H11NO3
SMILES
C1=CC=C(C(=C1)COC2=CC=CC(=C2)C(=O)O)C#N
InChI
InChI=1S/C15H11NO3/c16-9-12-4-1-2-5-13(12)10-19-14-7-3-6-11(8-14)15(17)18/h1-8H,10H2,(H,17,18)
InChIKey
RZXCBWFVNCPOMP-UHFFFAOYSA-N
Compound name
3-[(2-cyanophenyl)methoxy]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

253.0739 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08118 160.3
[M+Na]+ 276.06312 170.1
[M-H]- 252.06662 164.7
[M+NH4]+ 271.10772 174.6
[M+K]+ 292.03706 164.8
[M+H-H2O]+ 236.07116 146.6
[M+HCOO]- 298.07210 179.0
[M+CH3COO]- 312.08775 203.2
[M+Na-2H]- 274.04857 163.8
[M]+ 253.07335 156.1
[M]- 253.07445 156.1
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