CID 3019223

Cbrxfwbpfnismo-uhfffaoysa-n

Structural Information

Molecular Formula
C11H9BrCl2O
SMILES
C1=CC(=CC=C1C(=C(CCCl)C=O)Cl)Br
InChI
InChI=1S/C11H9BrCl2O/c12-10-3-1-8(2-4-10)11(14)9(7-15)5-6-13/h1-4,7H,5-6H2
InChIKey
CBRXFWBPFNISMO-UHFFFAOYSA-N
Compound name
2-[(4-bromophenyl)-chloromethylidene]-4-chlorobutanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.9214 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.928676 153.7
[M+Na]+ 328.910618 166.2
[M-H]- 304.914124 159.3
[M+NH4]+ 323.955223 173.8
[M+K]+ 344.884558 151.3
[M+H-H2O]+ 288.918660 155.4
[M+HCOO]- 350.919601 164.7
[M+CH3COO]- 364.935251 197.6
[M+Na-2H]- 326.896066 158.0
[M]+ 305.92085142 174.7
[M]- 305.92194858 174.7
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

No patent data available for this compound.