CID 598229

28480-70-8

Structural Information

Molecular Formula
C9H9ClO2
SMILES
CC1=CC(=C(C=C1Cl)C(=O)C)O
InChI
InChI=1S/C9H9ClO2/c1-5-3-9(12)7(6(2)11)4-8(5)10/h3-4,12H,1-2H3
InChIKey
HDUSGGZSLVCDKY-UHFFFAOYSA-N
Compound name
1-(5-chloro-2-hydroxy-4-methylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

200
Patents

184.02911 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.03639 134.4
[M+Na]+ 207.01833 148.6
[M+NH4]+ 202.06293 143.1
[M+K]+ 222.99227 142.4
[M-H]- 183.02183 136.1
[M+Na-2H]- 205.00378 140.8
[M]+ 184.02856 137.2
[M]- 184.02966 137.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe