CID 2773655

1-(2-chloro-6-fluoro-3-methylphenyl)ethanone

Structural Information

Molecular Formula
C9H8ClFO
SMILES
CC1=C(C(=C(C=C1)F)C(=O)C)Cl
InChI
InChI=1S/C9H8ClFO/c1-5-3-4-7(11)8(6(2)12)9(5)10/h3-4H,1-2H3
InChIKey
DNESTVGNBQZBHP-UHFFFAOYSA-N
Compound name
1-(2-chloro-6-fluoro-3-methylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

186.02477 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.032046 131.5
[M+Na]+ 209.013988 142.6
[M-H]- 185.017494 134.7
[M+NH4]+ 204.058593 153.0
[M+K]+ 224.987928 138.8
[M+H-H2O]+ 169.022030 126.7
[M+HCOO]- 231.022971 150.0
[M+CH3COO]- 245.038621 183.3
[M+Na-2H]- 206.999436 135.7
[M]+ 186.02422142 133.6
[M]- 186.02531858 133.6
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