CID 3048868

64064-64-8

Structural Information

Molecular Formula
C12H8N2O5
SMILES
C1=CC(=CC=C1[N+](=O)[O-])OC2=CN=C(C=C2)C(=O)O
InChI
InChI=1S/C12H8N2O5/c15-12(16)11-6-5-10(7-13-11)19-9-3-1-8(2-4-9)14(17)18/h1-7H,(H,15,16)
InChIKey
UJKWKNWJDWPCFW-UHFFFAOYSA-N
Compound name
5-(4-nitrophenoxy)pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

260.04333 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.05061 152.2
[M+Na]+ 283.03255 158.9
[M-H]- 259.03605 156.8
[M+NH4]+ 278.07715 165.4
[M+K]+ 299.00649 152.4
[M+H-H2O]+ 243.04059 148.5
[M+HCOO]- 305.04153 175.2
[M+CH3COO]- 319.05718 185.8
[M+Na-2H]- 281.01800 159.9
[M]+ 260.04278 151.5
[M]- 260.04388 151.5
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