CID 5706469

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

Structural Information

Molecular Formula
C9H6ClFO
SMILES
C1=CC=C(C(=C1)/C=C/C(=O)Cl)F
InChI
InChI=1S/C9H6ClFO/c10-9(12)6-5-7-3-1-2-4-8(7)11/h1-6H/b6-5+
InChIKey
JTDODVLEWOIHOB-AATRIKPKSA-N
Compound name
(E)-3-(2-fluorophenyl)prop-2-enoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

184.00912 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.01640 132.3
[M+Na]+ 206.99834 142.0
[M-H]- 183.00184 134.8
[M+NH4]+ 202.04294 153.2
[M+K]+ 222.97228 137.4
[M+H-H2O]+ 167.00638 127.0
[M+HCOO]- 229.00732 151.0
[M+CH3COO]- 243.02297 179.4
[M+Na-2H]- 204.98379 137.7
[M]+ 184.00857 132.9
[M]- 184.00967 132.9
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