CID 24264941

3-(4-fluorophenyl)-2-methylpropionylchloride

Structural Information

Molecular Formula
C10H10ClFO
SMILES
CC(CC1=CC=C(C=C1)F)C(=O)Cl
InChI
InChI=1S/C10H10ClFO/c1-7(10(11)13)6-8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3
InChIKey
HJOAOPVBPDCOFZ-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-2-methylpropanoyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

200.04042 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.04770 137.9
[M+Na]+ 223.02964 146.5
[M-H]- 199.03314 140.3
[M+NH4]+ 218.07424 158.1
[M+K]+ 239.00358 142.7
[M+H-H2O]+ 183.03768 132.5
[M+HCOO]- 245.03862 155.1
[M+CH3COO]- 259.05427 184.9
[M+Na-2H]- 221.01509 141.6
[M]+ 200.03987 139.0
[M]- 200.04097 139.0
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

No patent data available for this compound.