CID 14678715

3-chloronaphthalene-1-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

206.01346 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.02074 138.4
[M+Na]+ 229.00268 153.9
[M+NH4]+ 224.04728 148.1
[M+K]+ 244.97662 146.3
[M-H]- 205.00618 141.2
[M+Na-2H]- 226.98813 146.1
[M]+ 206.01291 141.8
[M]- 206.01401 141.8
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