CID 9543380

3-[(z)-2-carboxyvinyl]-2-naphthoate

Structural Information

Molecular Formula
C14H10O4
SMILES
C1=CC=C2C=C(C(=CC2=C1)/C=C\C(=O)O)C(=O)O
InChI
InChI=1S/C14H10O4/c15-13(16)6-5-11-7-9-3-1-2-4-10(9)8-12(11)14(17)18/h1-8H,(H,15,16)(H,17,18)/b6-5-
InChIKey
BWVRZRDHGKPOON-WAYWQWQTSA-N
Compound name
3-[(Z)-2-carboxyethenyl]naphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

242.0579 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.06518 151.8
[M+Na]+ 265.04712 164.0
[M+NH4]+ 260.09172 158.5
[M+K]+ 281.02106 158.7
[M-H]- 241.05062 152.1
[M+Na-2H]- 263.03257 156.4
[M]+ 242.05735 153.4
[M]- 242.05845 153.4
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