CID 6433653

15724-87-5

Structural Information

Molecular Formula
C10H9ClO2
SMILES
COC1=CC=C(C=C1)C(=O)/C=C/Cl
InChI
InChI=1S/C10H9ClO2/c1-13-9-4-2-8(3-5-9)10(12)6-7-11/h2-7H,1H3/b7-6+
InChIKey
NTFFVFPCZOKKOT-VOTSOKGWSA-N
Compound name
(E)-3-chloro-1-(4-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

196.02911 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.036386 137.8
[M+Na]+ 219.018328 147.0
[M-H]- 195.021834 141.6
[M+NH4]+ 214.062933 158.3
[M+K]+ 234.992268 143.1
[M+H-H2O]+ 179.026370 133.1
[M+HCOO]- 241.027311 157.4
[M+CH3COO]- 255.042961 181.7
[M+Na-2H]- 217.003776 143.2
[M]+ 196.02856142 141.3
[M]- 196.02965858 141.3
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