CID 22603927

1-chloronaphthalene-2-carboxylic acid

Structural Information

Molecular Formula
C11H7ClO2
SMILES
C1=CC=C2C(=C1)C=CC(=C2Cl)C(=O)O
InChI
InChI=1S/C11H7ClO2/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6H,(H,13,14)
InChIKey
CPIQIFZUPSNWNR-UHFFFAOYSA-N
Compound name
1-chloronaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

206.01346 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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