CID 2773655

261762-63-4

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

53
Patents

186.02477 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.03205 134.2
[M+Na]+ 209.01399 148.3
[M+NH4]+ 204.05859 143.0
[M+K]+ 224.98793 141.4
[M-H]- 185.01749 135.3
[M+Na-2H]- 206.99944 140.9
[M]+ 186.02422 136.9
[M]- 186.02532 136.9
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