CID 5836164

(2e)-3-(2,6-dichlorophenyl)acryloyl chloride

Structural Information

Molecular Formula
C9H5Cl3O
SMILES
C1=CC(=C(C(=C1)Cl)/C=C/C(=O)Cl)Cl
InChI
InChI=1S/C9H5Cl3O/c10-7-2-1-3-8(11)6(7)4-5-9(12)13/h1-5H/b5-4+
InChIKey
RTQDVNBXNNTDDK-SNAWJCMRSA-N
Compound name
(E)-3-(2,6-dichlorophenyl)prop-2-enoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

233.9406 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.94788 141.8
[M+Na]+ 256.92982 152.5
[M-H]- 232.93332 144.0
[M+NH4]+ 251.97442 161.2
[M+K]+ 272.90376 145.9
[M+H-H2O]+ 216.93786 139.0
[M+HCOO]- 278.93880 150.9
[M+CH3COO]- 292.95445 188.2
[M+Na-2H]- 254.91527 145.2
[M]+ 233.94005 144.8
[M]- 233.94115 144.8
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