CID 24131

2-(2,4-dinitrophenoxy)benzoic acid

Structural Information

Molecular Formula
C13H8N2O7
SMILES
C1=CC=C(C(=C1)C(=O)O)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C13H8N2O7/c16-13(17)9-3-1-2-4-11(9)22-12-6-5-8(14(18)19)7-10(12)15(20)21/h1-7H,(H,16,17)
InChIKey
GXWBOXHJWIENMO-UHFFFAOYSA-N
Compound name
2-(2,4-dinitrophenoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

304.03314 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.04042 163.6
[M+Na]+ 327.02236 168.4
[M-H]- 303.02586 169.1
[M+NH4]+ 322.06696 174.8
[M+K]+ 342.99630 158.3
[M+H-H2O]+ 287.03040 164.3
[M+HCOO]- 349.03134 187.4
[M+CH3COO]- 363.04699 189.5
[M+Na-2H]- 325.00781 171.0
[M]+ 304.03259 161.4
[M]- 304.03369 161.4
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