CID 1051514

2892-29-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

235
Patents

170.01346 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.02074 129.1
[M+Na]+ 193.00268 139.3
[M-H]- 169.00618 132.2
[M+NH4]+ 188.04728 150.3
[M+K]+ 208.97662 135.7
[M+H-H2O]+ 153.01072 125.4
[M+HCOO]- 215.01166 147.8
[M+CH3COO]- 229.02731 175.8
[M+Na-2H]- 190.98813 134.5
[M]+ 170.01291 131.2
[M]- 170.01401 131.2
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