CID 5706384

(e)-3-(4-bromo-2-fluorophenyl)acryloyl chloride

Structural Information

Molecular Formula
C9H5BrClFO
SMILES
C1=CC(=C(C=C1Br)F)/C=C/C(=O)Cl
InChI
InChI=1S/C9H5BrClFO/c10-7-3-1-6(8(12)5-7)2-4-9(11)13/h1-5H/b4-2+
InChIKey
ONNSHVOIAONFKC-DUXPYHPUSA-N
Compound name
(E)-3-(4-bromo-2-fluorophenyl)prop-2-enoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.91962 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.92690 142.6
[M+Na]+ 284.90884 156.5
[M-H]- 260.91234 148.1
[M+NH4]+ 279.95344 164.3
[M+K]+ 300.88278 142.8
[M+H-H2O]+ 244.91688 143.3
[M+HCOO]- 306.91782 159.0
[M+CH3COO]- 320.93347 190.6
[M+Na-2H]- 282.89429 148.4
[M]+ 261.91907 162.0
[M]- 261.92017 162.0
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