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

44
Patents

184.02911 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.036386 134.1
[M+Na]+ 207.018328 144.1
[M-H]- 183.021834 136.9
[M+NH4]+ 202.062933 154.7
[M+K]+ 222.992268 139.7
[M+H-H2O]+ 167.026370 130.0
[M+HCOO]- 229.027311 153.4
[M+CH3COO]- 243.042961 178.0
[M+Na-2H]- 205.003776 140.1
[M]+ 184.02856142 137.1
[M]- 184.02965858 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