CID 5706406

(2z)-3-chloro-3-(4-chlorophenyl)prop-2-enal

Structural Information

Molecular Formula
C9H6Cl2O
SMILES
C1=CC(=CC=C1/C(=C/C=O)/Cl)Cl
InChI
InChI=1S/C9H6Cl2O/c10-8-3-1-7(2-4-8)9(11)5-6-12/h1-6H/b9-5-
InChIKey
IWQMAUVMLFGNGU-UITAMQMPSA-N
Compound name
(Z)-3-chloro-3-(4-chlorophenyl)prop-2-enal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

199.97957 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.98685 136.1
[M+Na]+ 222.96879 146.1
[M-H]- 198.97229 139.3
[M+NH4]+ 218.01339 156.8
[M+K]+ 238.94273 140.4
[M+H-H2O]+ 182.97683 132.5
[M+HCOO]- 244.97777 150.7
[M+CH3COO]- 258.99342 181.6
[M+Na-2H]- 220.95424 141.3
[M]+ 199.97902 138.8
[M]- 199.98012 138.8
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