CID 57790005

1-(2-chloro-6-fluorophenyl)propan-1-one

Structural Information

Molecular Formula
C9H8ClFO
SMILES
CCC(=O)C1=C(C=CC=C1Cl)F
InChI
InChI=1S/C9H8ClFO/c1-2-8(12)9-6(10)4-3-5-7(9)11/h3-5H,2H2,1H3
InChIKey
HTMBPXWVGGBDTA-UHFFFAOYSA-N
Compound name
1-(2-chloro-6-fluorophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

186.02477 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.03205 132.5
[M+Na]+ 209.01399 142.7
[M-H]- 185.01749 135.4
[M+NH4]+ 204.05859 153.7
[M+K]+ 224.98793 138.8
[M+H-H2O]+ 169.02203 127.4
[M+HCOO]- 231.02297 151.0
[M+CH3COO]- 245.03862 182.1
[M+Na-2H]- 206.99944 137.3
[M]+ 186.02422 134.2
[M]- 186.02532 134.2
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