CID 21904648

3-chloro-5-hydroxybenzaldehyde

Structural Information

Molecular Formula
C7H5ClO2
SMILES
C1=C(C=C(C=C1O)Cl)C=O
InChI
InChI=1S/C7H5ClO2/c8-6-1-5(4-9)2-7(10)3-6/h1-4,10H
InChIKey
BJENCCAVAIAGOF-UHFFFAOYSA-N
Compound name
3-chloro-5-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

243
Patents

155.9978 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.005076 124.7
[M+Na]+ 178.987018 135.5
[M-H]- 154.990524 127.8
[M+NH4]+ 174.031623 146.4
[M+K]+ 194.960958 131.7
[M+H-H2O]+ 138.995060 121.0
[M+HCOO]- 200.996001 144.6
[M+CH3COO]- 215.011651 171.9
[M+Na-2H]- 176.972466 131.8
[M]+ 155.99725142 126.9
[M]- 155.99834858 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

No literature data available for this compound.

Patent stripe

patents stripe