CID 24695826

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

Structural Information

Molecular Formula
C9H8ClFO
SMILES
C1=CC(=CC(=C1)F)CC(=O)CCl
InChI
InChI=1S/C9H8ClFO/c10-6-9(12)5-7-2-1-3-8(11)4-7/h1-4H,5-6H2
InChIKey
VUFXQHYUTJYLLO-UHFFFAOYSA-N
Compound name
1-chloro-3-(3-fluorophenyl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

186.02477 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.03205 133.4
[M+Na]+ 209.01399 142.7
[M-H]- 185.01749 135.9
[M+NH4]+ 204.05859 154.2
[M+K]+ 224.98793 138.7
[M+H-H2O]+ 169.02203 128.0
[M+HCOO]- 231.02297 151.9
[M+CH3COO]- 245.03862 181.0
[M+Na-2H]- 206.99944 138.8
[M]+ 186.02422 134.7
[M]- 186.02532 134.7
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