CID 458228

2-(7-chloronaphthalene-2-carbonyl)benzoic acid

Structural Information

Molecular Formula
C18H11ClO3
SMILES
C1=CC=C(C(=C1)C(=O)C2=CC3=C(C=C2)C=CC(=C3)Cl)C(=O)O
InChI
InChI=1S/C18H11ClO3/c19-14-8-7-11-5-6-12(9-13(11)10-14)17(20)15-3-1-2-4-16(15)18(21)22/h1-10H,(H,21,22)
InChIKey
HIORRPDASJALAZ-UHFFFAOYSA-N
Compound name
2-(7-chloronaphthalene-2-carbonyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.03967 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.04695 166.5
[M+Na]+ 333.02889 175.6
[M-H]- 309.03239 173.1
[M+NH4]+ 328.07349 182.2
[M+K]+ 349.00283 169.4
[M+H-H2O]+ 293.03693 159.8
[M+HCOO]- 355.03787 182.3
[M+CH3COO]- 369.05352 202.8
[M+Na-2H]- 331.01434 170.3
[M]+ 310.03912 169.2
[M]- 310.04022 169.2
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

No patent data available for this compound.