CID 223381

6279-83-0

Structural Information

Molecular Formula
C10H9NO8
SMILES
COC1=C(C(=C(C(=C1)[N+](=O)[O-])C(=O)O)C(=O)O)OC
InChI
InChI=1S/C10H9NO8/c1-18-5-3-4(11(16)17)6(9(12)13)7(10(14)15)8(5)19-2/h3H,1-2H3,(H,12,13)(H,14,15)
InChIKey
NMESVQZUOUEFEB-UHFFFAOYSA-N
Compound name
3,4-dimethoxy-6-nitrophthalic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

271.0328 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.04008 149.7
[M+Na]+ 294.02202 157.2
[M-H]- 270.02552 151.6
[M+NH4]+ 289.06662 163.8
[M+K]+ 309.99596 153.0
[M+H-H2O]+ 254.03006 148.4
[M+HCOO]- 316.03100 171.5
[M+CH3COO]- 330.04665 187.5
[M+Na-2H]- 292.00747 153.4
[M]+ 271.03225 152.3
[M]- 271.03335 152.3
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

No patent data available for this compound.