CID 22504043

14617-29-9

Structural Information

Molecular Formula
C14H11NO5
SMILES
C1=CC=C(C=C1)COC2=C(C=CC(=C2)C(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C14H11NO5/c16-14(17)11-6-7-12(15(18)19)13(8-11)20-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
InChIKey
YNHGQAXYDLCNSS-UHFFFAOYSA-N
Compound name
4-nitro-3-phenylmethoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

273.06372 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.07100 157.8
[M+Na]+ 296.05294 171.6
[M+NH4]+ 291.09754 164.7
[M+K]+ 312.02688 168.4
[M-H]- 272.05644 161.9
[M+Na-2H]- 294.03839 165.4
[M]+ 273.06317 160.7
[M]- 273.06427 160.7
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