CID 131379619

2-chloro-1-(2,4,5-trifluoro-3-methoxyphenyl)ethan-1-one

Structural Information

Molecular Formula
C9H6ClF3O2
SMILES
COC1=C(C(=CC(=C1F)F)C(=O)CCl)F
InChI
InChI=1S/C9H6ClF3O2/c1-15-9-7(12)4(6(14)3-10)2-5(11)8(9)13/h2H,3H2,1H3
InChIKey
LFQJMEIVDSVCSQ-UHFFFAOYSA-N
Compound name
2-chloro-1-(2,4,5-trifluoro-3-methoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.00084 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.00812 138.8
[M+Na]+ 260.99006 150.9
[M-H]- 236.99356 139.6
[M+NH4]+ 256.03466 158.3
[M+K]+ 276.96400 146.7
[M+H-H2O]+ 220.99810 132.1
[M+HCOO]- 282.99904 155.4
[M+CH3COO]- 297.01469 192.0
[M+Na-2H]- 258.97551 141.2
[M]+ 238.00029 140.5
[M]- 238.00139 140.5
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.