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]+ 157.00508 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

No literature data available for this compound.

Patent stripe

patents stripe