CID 57988929

1179338-48-7

Structural Information

Molecular Formula
C9H9ClO2
SMILES
C1=CC(=C(C(=C1)C=O)Cl)CCO
InChI
InChI=1S/C9H9ClO2/c10-9-7(4-5-11)2-1-3-8(9)6-12/h1-3,6,11H,4-5H2
InChIKey
VYHWVNIIGCLAKX-UHFFFAOYSA-N
Compound name
2-chloro-3-(2-hydroxyethyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

184.02911 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.03639 134.1
[M+Na]+ 207.01833 144.1
[M-H]- 183.02183 136.9
[M+NH4]+ 202.06293 154.7
[M+K]+ 222.99227 139.7
[M+H-H2O]+ 167.02637 130.0
[M+HCOO]- 229.02731 153.4
[M+CH3COO]- 243.04296 178.0
[M+Na-2H]- 205.00378 140.1
[M]+ 184.02856 137.1
[M]- 184.02966 137.1
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