CID 2773657

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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 131.5
[M+Na]+ 209.01399 142.6
[M-H]- 185.01749 134.7
[M+NH4]+ 204.05859 153.0
[M+K]+ 224.98793 138.8
[M+H-H2O]+ 169.02203 126.7
[M+HCOO]- 231.02297 150.0
[M+CH3COO]- 245.03862 183.3
[M+Na-2H]- 206.99944 135.7
[M]+ 186.02422 133.6
[M]- 186.02532 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