CID 6433595

P-bromo-beta-chlorocinnamaldehyde

Structural Information

Molecular Formula
C9H6BrClO
SMILES
C1=CC(=CC=C1/C(=C/C=O)/Cl)Br
InChI
InChI=1S/C9H6BrClO/c10-8-3-1-7(2-4-8)9(11)5-6-12/h1-6H/b9-5-
InChIKey
BMEIVZSKOZFHRN-UITAMQMPSA-N
Compound name
(Z)-3-(4-bromophenyl)-3-chloroprop-2-enal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

243.92906 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.93634 140.0
[M+Na]+ 266.91828 153.0
[M-H]- 242.92178 146.5
[M+NH4]+ 261.96288 162.2
[M+K]+ 282.89222 139.8
[M+H-H2O]+ 226.92632 141.5
[M+HCOO]- 288.92726 157.4
[M+CH3COO]- 302.94291 187.0
[M+Na-2H]- 264.90373 147.1
[M]+ 243.92851 160.1
[M]- 243.92961 160.1
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