CID 6434580

Acrylophenone, 3-chloro-2',5'-dimethyl-, (e)-

Structural Information

Molecular Formula
C11H11ClO
SMILES
CC1=CC(=C(C=C1)C)C(=O)/C=C/Cl
InChI
InChI=1S/C11H11ClO/c1-8-3-4-9(2)10(7-8)11(13)5-6-12/h3-7H,1-2H3/b6-5+
InChIKey
XGRXFPLTRWEIKB-AATRIKPKSA-N
Compound name
(E)-3-chloro-1-(2,5-dimethylphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.04984 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.057116 138.4
[M+Na]+ 217.039058 148.1
[M-H]- 193.042564 142.4
[M+NH4]+ 212.083663 159.3
[M+K]+ 233.012998 143.5
[M+H-H2O]+ 177.047100 134.1
[M+HCOO]- 239.048041 157.5
[M+CH3COO]- 253.063691 183.9
[M+Na-2H]- 215.024506 142.7
[M]+ 194.04929142 141.2
[M]- 194.05038858 141.2
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.