CID 121234533

Dtxsid70896356

Structural Information

Molecular Formula
C10H4ClF7O
SMILES
C1=CC(=CC=C1C(=O)C(C(F)(F)F)(C(F)(F)F)F)Cl
InChI
InChI=1S/C10H4ClF7O/c11-6-3-1-5(2-4-6)7(19)8(12,9(13,14)15)10(16,17)18/h1-4H
InChIKey
VHOHHHNRRRZQQP-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

307.9839 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.99118 152.5
[M+Na]+ 330.97312 163.1
[M-H]- 306.97662 147.9
[M+NH4]+ 326.01772 168.1
[M+K]+ 346.94706 157.6
[M+H-H2O]+ 290.98116 142.6
[M+HCOO]- 352.98210 159.6
[M+CH3COO]- 366.99775 201.0
[M+Na-2H]- 328.95857 156.3
[M]+ 307.98335 144.9
[M]- 307.98445 144.9
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.