CID 13288327

5042-97-7

Structural Information

Molecular Formula

C₁₁H₇ClO₂

SMILES

C1=CC2=C(C=CC(=C2)Cl)C=C1C(=O)O

InChI

InChI=1S/C11H7ClO2/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-6H,(H,13,14)

InChIKey

SRISHMVSUHENAI-UHFFFAOYSA-N

Compound name

6-chloronaphthalene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 232
Patents: 206.01346 Da
Monoisotopic Mass: 3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	207.02074	138.0
[M+Na]+	229.00268	148.2
[M-H]-	205.00618	141.8
[M+NH4]+	224.04728	158.5
[M+K]+	244.97662	143.3
[M+H-H2O]+	189.01072	133.6
[M+HCOO]-	251.01166	155.5
[M+CH3COO]-	265.02731	182.3
[M+Na-2H]-	226.98813	145.0
[M]+	206.01291	140.1
[M]-	206.01401	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe