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

2
Patents

186.02477 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.032046 133.4
[M+Na]+ 209.013988 142.7
[M-H]- 185.017494 135.9
[M+NH4]+ 204.058593 154.2
[M+K]+ 224.987928 138.7
[M+H-H2O]+ 169.022030 128.0
[M+HCOO]- 231.022971 151.9
[M+CH3COO]- 245.038621 181.0
[M+Na-2H]- 206.999436 138.8
[M]+ 186.02422142 134.7
[M]- 186.02531858 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