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

30
Patents

184.00912 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.016396 132.3
[M+Na]+ 206.998338 142.0
[M-H]- 183.001844 134.8
[M+NH4]+ 202.042943 153.2
[M+K]+ 222.972278 137.4
[M+H-H2O]+ 167.006380 127.0
[M+HCOO]- 229.007321 151.0
[M+CH3COO]- 243.022971 179.4
[M+Na-2H]- 204.983786 137.7
[M]+ 184.00857142 132.9
[M]- 184.00966858 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

No patent data available for this compound.