CID 2800866

2-(4-methoxyphenoxy)-5-nitrobenzoic acid

Structural Information

Molecular Formula
C14H11NO6
SMILES
COC1=CC=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C14H11NO6/c1-20-10-3-5-11(6-4-10)21-13-7-2-9(15(18)19)8-12(13)14(16)17/h2-8H,1H3,(H,16,17)
InChIKey
QRZWQIKFHYAHFP-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenoxy)-5-nitrobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

289.05862 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.06590 160.5
[M+Na]+ 312.04784 167.0
[M-H]- 288.05134 166.4
[M+NH4]+ 307.09244 174.0
[M+K]+ 328.02178 161.1
[M+H-H2O]+ 272.05588 157.2
[M+HCOO]- 334.05682 184.2
[M+CH3COO]- 348.07247 192.5
[M+Na-2H]- 310.03329 166.2
[M]+ 289.05807 161.9
[M]- 289.05917 161.9
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