CID 11105967

51791-27-6

Structural Information

Molecular Formula
C10H9ClO
SMILES
C/C(=C\C1=CC=C(C=C1)Cl)/C=O
InChI
InChI=1S/C10H9ClO/c1-8(7-12)6-9-2-4-10(11)5-3-9/h2-7H,1H3/b8-6+
InChIKey
IQJAMSUNWQAPAF-SOFGYWHQSA-N
Compound name
(E)-3-(4-chlorophenyl)-2-methylprop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

180.0342 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04148 134.7
[M+Na]+ 203.02342 143.9
[M-H]- 179.02692 138.5
[M+NH4]+ 198.06802 155.8
[M+K]+ 218.99736 139.5
[M+H-H2O]+ 163.03146 130.2
[M+HCOO]- 225.03240 154.1
[M+CH3COO]- 239.04805 179.8
[M+Na-2H]- 201.00887 140.1
[M]+ 180.03365 136.7
[M]- 180.03475 136.7
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

patents stripe