CID 520857

37612-52-5

Structural Information

Molecular Formula
C9H9ClO2
SMILES
CC(=O)C1=CC(=C(C=C1)OC)Cl
InChI
InChI=1S/C9H9ClO2/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-5H,1-2H3
InChIKey
QILWOKAXHOAFOF-UHFFFAOYSA-N
Compound name
1-(3-chloro-4-methoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

268
Patents

184.02911 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.03639 134.1
[M+Na]+ 207.01833 148.5
[M+NH4]+ 202.06293 143.1
[M+K]+ 222.99227 141.7
[M-H]- 183.02183 136.2
[M+Na-2H]- 205.00378 141.3
[M]+ 184.02856 137.1
[M]- 184.02966 137.1
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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