CID 31422

1,4,5,8-naphthalenetetracarboxylic acid

Structural Information

Molecular Formula
C14H8O8
SMILES
C1=CC(=C2C(=CC=C(C2=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O
InChI
InChI=1S/C14H8O8/c15-11(16)5-1-2-6(12(17)18)10-8(14(21)22)4-3-7(9(5)10)13(19)20/h1-4H,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
InChIKey
OLAPPGSPBNVTRF-UHFFFAOYSA-N
Compound name
naphthalene-1,4,5,8-tetracarboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

12
References

20987
Patents

304.0219 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.02918 158.2
[M+Na]+ 327.01112 165.4
[M-H]- 303.01462 158.0
[M+NH4]+ 322.05572 170.8
[M+K]+ 342.98506 163.7
[M+H-H2O]+ 287.01916 152.6
[M+HCOO]- 349.02010 173.0
[M+CH3COO]- 363.03575 197.8
[M+Na-2H]- 324.99657 158.3
[M]+ 304.02135 159.2
[M]- 304.02245 159.2
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