CID 12583352

4-chloro-1-hydroxynaphthalene-2-carbaldehyde

Structural Information

Molecular Formula
C11H7ClO2
SMILES
C1=CC=C2C(=C1)C(=CC(=C2O)C=O)Cl
InChI
InChI=1S/C11H7ClO2/c12-10-5-7(6-13)11(14)9-4-2-1-3-8(9)10/h1-6,14H
InChIKey
FTCRRHMDEKNDHP-UHFFFAOYSA-N
Compound name
4-chloro-1-hydroxynaphthalene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

206.01346 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.02074 137.8
[M+Na]+ 229.00268 149.3
[M-H]- 205.00618 141.8
[M+NH4]+ 224.04728 158.7
[M+K]+ 244.97662 143.9
[M+H-H2O]+ 189.01072 133.4
[M+HCOO]- 251.01166 156.2
[M+CH3COO]- 265.02731 182.7
[M+Na-2H]- 226.98813 145.3
[M]+ 206.01291 140.9
[M]- 206.01401 140.9
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