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]+ 261.050606 152.2
[M+Na]+ 283.032548 158.9
[M-H]- 259.036054 156.8
[M+NH4]+ 278.077153 165.4
[M+K]+ 299.006488 152.4
[M+H-H2O]+ 243.040590 148.5
[M+HCOO]- 305.041531 175.2
[M+CH3COO]- 319.057181 185.8
[M+Na-2H]- 281.017996 159.9
[M]+ 260.04278142 151.5
[M]- 260.04387858 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