CID 68494

582-69-4

Structural Information

Molecular Formula
C14H10N2O5
SMILES
C1=CC(=CC=C1C(=O)O)N=[N+](C2=CC=C(C=C2)C(=O)O)[O-]
InChI
InChI=1S/C14H10N2O5/c17-13(18)9-1-5-11(6-2-9)15-16(21)12-7-3-10(4-8-12)14(19)20/h1-8H,(H,17,18)(H,19,20)
InChIKey
ZYVHVGJGLOEEKD-UHFFFAOYSA-N
Compound name
(4-carboxyphenyl)-(4-carboxyphenyl)imino-oxidoazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

286.05896 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.06624 159.5
[M+Na]+ 309.04818 164.4
[M-H]- 285.05168 165.0
[M+NH4]+ 304.09278 172.5
[M+K]+ 325.02212 157.7
[M+H-H2O]+ 269.05622 156.1
[M+HCOO]- 331.05716 183.3
[M+CH3COO]- 345.07281 193.2
[M+Na-2H]- 307.03363 165.1
[M]+ 286.05841 156.9
[M]- 286.05951 156.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe