CID 71755724

2-chloro-1-(2,5-difluoro-4-methylphenyl)ethan-1-one

Structural Information

Molecular Formula
C9H7ClF2O
SMILES
CC1=CC(=C(C=C1F)C(=O)CCl)F
InChI
InChI=1S/C9H7ClF2O/c1-5-2-8(12)6(3-7(5)11)9(13)4-10/h2-3H,4H2,1H3
InChIKey
GROGBMJHIFPNNG-UHFFFAOYSA-N
Compound name
2-chloro-1-(2,5-difluoro-4-methylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.01535 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.02263 134.1
[M+Na]+ 227.00457 145.3
[M-H]- 203.00807 135.9
[M+NH4]+ 222.04917 154.7
[M+K]+ 242.97851 140.9
[M+H-H2O]+ 187.01261 128.3
[M+HCOO]- 249.01355 151.5
[M+CH3COO]- 263.02920 186.1
[M+Na-2H]- 224.99002 137.6
[M]+ 204.01480 135.1
[M]- 204.01590 135.1
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

No patent data available for this compound.