CID 240434

1-(5-chloro-2-methoxyphenyl)ethanone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

132
Patents

184.02911 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.036386 133.1
[M+Na]+ 207.018328 143.3
[M-H]- 183.021834 137.5
[M+NH4]+ 202.062933 154.4
[M+K]+ 222.992268 140.4
[M+H-H2O]+ 167.026370 128.9
[M+HCOO]- 229.027311 152.9
[M+CH3COO]- 243.042961 181.4
[M+Na-2H]- 205.003776 138.5
[M]+ 184.02856142 137.5
[M]- 184.02965858 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

literature stripe

Patent stripe

patents stripe