CID 125514631

2089277-41-6

Structural Information

Molecular Formula
C10H5ClF6O2
SMILES
C1=CC(=C(C=C1OC(F)(F)F)C(F)(F)F)C(=O)CCl
InChI
InChI=1S/C10H5ClF6O2/c11-4-8(18)6-2-1-5(19-10(15,16)17)3-7(6)9(12,13)14/h1-3H,4H2
InChIKey
TXPBSTXMFPEUOE-UHFFFAOYSA-N
Compound name
2-chloro-1-[4-(trifluoromethoxy)-2-(trifluoromethyl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.98822 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.99550 152.9
[M+Na]+ 328.97744 163.9
[M-H]- 304.98094 149.5
[M+NH4]+ 324.02204 169.0
[M+K]+ 344.95138 158.9
[M+H-H2O]+ 288.98548 143.6
[M+HCOO]- 350.98642 162.9
[M+CH3COO]- 365.00207 200.7
[M+Na-2H]- 326.96289 155.9
[M]+ 305.98767 149.1
[M]- 305.98877 149.1
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.