CID 60094013

1-(5-chloro-2-hydroxyphenyl)-2-methylpropan-1-one

Structural Information

Molecular Formula
C10H11ClO2
SMILES
CC(C)C(=O)C1=C(C=CC(=C1)Cl)O
InChI
InChI=1S/C10H11ClO2/c1-6(2)10(13)8-5-7(11)3-4-9(8)12/h3-6,12H,1-2H3
InChIKey
VAACEAMVUSTYDX-UHFFFAOYSA-N
Compound name
1-(5-chloro-2-hydroxyphenyl)-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

198.04475 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05203 139.4
[M+Na]+ 221.03397 152.7
[M+NH4]+ 216.07857 147.8
[M+K]+ 237.00791 146.8
[M-H]- 197.03747 140.8
[M+Na-2H]- 219.01942 145.4
[M]+ 198.04420 141.9
[M]- 198.04530 141.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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