CID 18323632

152943-33-4

Structural Information

Molecular Formula
C9H9ClO2
SMILES
CC(C(=O)C1=CC(=CC=C1)Cl)O
InChI
InChI=1S/C9H9ClO2/c1-6(11)9(12)7-3-2-4-8(10)5-7/h2-6,11H,1H3
InChIKey
PRVHLTNNKRCHGO-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-2-hydroxypropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

184.02911 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.03639 134.4
[M+Na]+ 207.01833 143.0
[M-H]- 183.02183 137.1
[M+NH4]+ 202.06293 154.6
[M+K]+ 222.99227 139.5
[M+H-H2O]+ 167.02637 130.3
[M+HCOO]- 229.02731 151.7
[M+CH3COO]- 243.04296 178.5
[M+Na-2H]- 205.00378 138.7
[M]+ 184.02856 135.9
[M]- 184.02966 135.9
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