CID 5706470

13565-05-4

Structural Information

Molecular Formula
C9H6ClFO
SMILES
C1=CC(=CC(=C1)F)/C=C/C(=O)Cl
InChI
InChI=1S/C9H6ClFO/c10-9(12)5-4-7-2-1-3-8(11)6-7/h1-6H/b5-4+
InChIKey
LYOVOKZDYQTGTL-SNAWJCMRSA-N
Compound name
(E)-3-(3-fluorophenyl)prop-2-enoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
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

literature stripe

Patent stripe

patents stripe