CID 64713083

1-(3-chloro-2-fluorophenyl)-2-methylpropan-1-one

Structural Information

Molecular Formula
C10H10ClFO
SMILES
CC(C)C(=O)C1=C(C(=CC=C1)Cl)F
InChI
InChI=1S/C10H10ClFO/c1-6(2)10(13)7-4-3-5-8(11)9(7)12/h3-6H,1-2H3
InChIKey
QXMKRXIBIHJVHO-UHFFFAOYSA-N
Compound name
1-(3-chloro-2-fluorophenyl)-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

200.04042 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.04770 136.8
[M+Na]+ 223.02964 146.4
[M-H]- 199.03314 139.6
[M+NH4]+ 218.07424 157.4
[M+K]+ 239.00358 142.7
[M+H-H2O]+ 183.03768 131.7
[M+HCOO]- 245.03862 154.0
[M+CH3COO]- 259.05427 186.0
[M+Na-2H]- 221.01509 139.9
[M]+ 200.03987 138.4
[M]- 200.04097 138.4
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