CID 79416

4-chloro-1-hydroxy-2-naphthoic acid

Structural Information

Molecular Formula
C11H7ClO3
SMILES
C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)O)Cl
InChI
InChI=1S/C11H7ClO3/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,13H,(H,14,15)
InChIKey
XRWGZDGUXYNIOS-UHFFFAOYSA-N
Compound name
4-chloro-1-hydroxynaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

48
Patents

222.00838 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.01566 140.8
[M+Na]+ 244.99760 151.5
[M-H]- 221.00110 143.6
[M+NH4]+ 240.04220 160.3
[M+K]+ 260.97154 146.4
[M+H-H2O]+ 205.00564 136.8
[M+HCOO]- 267.00658 157.0
[M+CH3COO]- 281.02223 183.2
[M+Na-2H]- 242.98305 146.8
[M]+ 222.00783 143.0
[M]- 222.00893 143.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe