CID 18699227

73898-63-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
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 133.1
[M+Na]+ 207.01833 143.3
[M-H]- 183.02183 137.5
[M+NH4]+ 202.06293 154.4
[M+K]+ 222.99227 140.4
[M+H-H2O]+ 167.02637 128.9
[M+HCOO]- 229.02731 152.9
[M+CH3COO]- 243.04296 181.4
[M+Na-2H]- 205.00378 138.5
[M]+ 184.02856 137.5
[M]- 184.02966 137.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe