CID 11321881

1,5-naphthalenedicarboxylic acid

Structural Information

Molecular Formula
C12H8O4
SMILES
C1=CC2=C(C=CC=C2C(=O)O)C(=C1)C(=O)O
InChI
InChI=1S/C12H8O4/c13-11(14)9-5-1-3-7-8(9)4-2-6-10(7)12(15)16/h1-6H,(H,13,14)(H,15,16)
InChIKey
DFFZOPXDTCDZDP-UHFFFAOYSA-N
Compound name
naphthalene-1,5-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22903
Patents

216.04225 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.04953 142.2
[M+Na]+ 239.03147 150.5
[M-H]- 215.03497 144.6
[M+NH4]+ 234.07607 160.3
[M+K]+ 255.00541 147.5
[M+H-H2O]+ 199.03951 136.7
[M+HCOO]- 261.04045 161.9
[M+CH3COO]- 275.05610 183.5
[M+Na-2H]- 237.01692 147.5
[M]+ 216.04170 142.2
[M]- 216.04280 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

No literature data available for this compound.

Patent stripe

patents stripe