CID 237806

2196-99-8

Structural Information

Molecular Formula
C9H9ClO2
SMILES
COC1=CC=C(C=C1)C(=O)CCl
InChI
InChI=1S/C9H9ClO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5H,6H2,1H3
InChIKey
MCRINSAETDOKDE-UHFFFAOYSA-N
Compound name
2-chloro-1-(4-methoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

216
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 134.1
[M+Na]+ 207.018328 143.3
[M-H]- 183.021834 138.0
[M+NH4]+ 202.062933 155.1
[M+K]+ 222.992268 140.3
[M+H-H2O]+ 167.026370 129.6
[M+HCOO]- 229.027311 153.9
[M+CH3COO]- 243.042961 180.3
[M+Na-2H]- 205.003776 140.1
[M]+ 184.02856142 138.0
[M]- 184.02965858 138.0
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