CID 12481

5-chlorosalicylaldehyde

Structural Information

Molecular Formula
C7H5ClO2
SMILES
C1=CC(=C(C=C1Cl)C=O)O
InChI
InChI=1S/C7H5ClO2/c8-6-1-2-7(10)5(3-6)4-9/h1-4,10H
InChIKey
FUGKCSRLAQKUHG-UHFFFAOYSA-N
Compound name
5-chloro-2-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

49
References

2378
Patents

155.9978 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.00508 124.7
[M+Na]+ 178.98702 135.5
[M-H]- 154.99052 127.8
[M+NH4]+ 174.03162 146.4
[M+K]+ 194.96096 131.7
[M+H-H2O]+ 138.99506 121.0
[M+HCOO]- 200.99600 144.6
[M+CH3COO]- 215.01165 171.9
[M+Na-2H]- 176.97247 131.8
[M]+ 155.99725 126.9
[M]- 155.99835 126.9
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