CID 45933768

1202679-46-6

Structural Information

Molecular Formula
C9H5F5O
SMILES
CC(=O)C1=C(C(=C(C=C1)F)C(F)(F)F)F
InChI
InChI=1S/C9H5F5O/c1-4(15)5-2-3-6(10)7(8(5)11)9(12,13)14/h2-3H,1H3
InChIKey
SDZJUILLCDFDFP-UHFFFAOYSA-N
Compound name
1-[2,4-difluoro-3-(trifluoromethyl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

224.02606 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.03334 158.7
[M+Na]+ 247.01528 165.8
[M+NH4]+ 242.05988 162.2
[M+K]+ 262.98922 161.1
[M-H]- 223.01878 153.2
[M+Na-2H]- 245.00073 160.2
[M]+ 224.02551 157.8
[M]- 224.02661 157.8
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