CID 11790598

Naphthalene-2,7-dicarboxylic acid

Structural Information

Molecular Formula
C12H8O4
SMILES
C1=CC(=CC2=C1C=CC(=C2)C(=O)O)C(=O)O
InChI
InChI=1S/C12H8O4/c13-11(14)8-3-1-7-2-4-9(12(15)16)6-10(7)5-8/h1-6H,(H,13,14)(H,15,16)
InChIKey
WPUMVKJOWWJPRK-UHFFFAOYSA-N
Compound name
naphthalene-2,7-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

28357
Patents

216.04225 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.049526 142.2
[M+Na]+ 239.031468 150.5
[M-H]- 215.034974 144.6
[M+NH4]+ 234.076073 160.3
[M+K]+ 255.005408 147.5
[M+H-H2O]+ 199.039510 136.7
[M+HCOO]- 261.040451 161.9
[M+CH3COO]- 275.056101 183.5
[M+Na-2H]- 237.016916 147.5
[M]+ 216.04170142 142.2
[M]- 216.04279858 142.2
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