CID 6434283

Acrylophenone, 3-chloro-2',4',6'-trimethyl-, (e)-

Structural Information

Molecular Formula
C12H13ClO
SMILES
CC1=CC(=C(C(=C1)C)C(=O)/C=C/Cl)C
InChI
InChI=1S/C12H13ClO/c1-8-6-9(2)12(10(3)7-8)11(14)4-5-13/h4-7H,1-3H3/b5-4+
InChIKey
GSQNNWOQBPIEJB-SNAWJCMRSA-N
Compound name
(E)-3-chloro-1-(2,4,6-trimethylphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.06549 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.072766 142.0
[M+Na]+ 231.054708 152.2
[M-H]- 207.058214 146.2
[M+NH4]+ 226.099313 162.7
[M+K]+ 247.028648 147.5
[M+H-H2O]+ 191.062750 137.8
[M+HCOO]- 253.063691 160.8
[M+CH3COO]- 267.079341 188.1
[M+Na-2H]- 229.040156 145.1
[M]+ 208.06494142 145.6
[M]- 208.06603858 145.6
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

No patent data available for this compound.