CID 593414

3226-34-4

Structural Information

Molecular Formula
C8H7ClO2
SMILES
CC(=O)C1=C(C(=CC=C1)Cl)O
InChI
InChI=1S/C8H7ClO2/c1-5(10)6-3-2-4-7(9)8(6)11/h2-4,11H,1H3
InChIKey
GBWVDQBTXFIIJF-UHFFFAOYSA-N
Compound name
1-(3-chloro-2-hydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

156
Patents

170.01346 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.02074 130.2
[M+Na]+ 193.00268 144.2
[M+NH4]+ 188.04728 139.0
[M+K]+ 208.97662 138.0
[M-H]- 169.00618 131.8
[M+Na-2H]- 190.98813 137.0
[M]+ 170.01291 132.9
[M]- 170.01401 132.9
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