CID 91695152

2,2,2-trichloroethyl 2,2,2-trifluoroacetate

Structural Information

Molecular Formula
C4H2Cl3F3O2
SMILES
C(C(Cl)(Cl)Cl)OC(=O)C(F)(F)F
InChI
InChI=1S/C4H2Cl3F3O2/c5-3(6,7)1-12-2(11)4(8,9)10/h1H2
InChIKey
BGZNVJXNPFAPCN-UHFFFAOYSA-N
Compound name
2,2,2-trichloroethyl 2,2,2-trifluoroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

243.90724 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.91452 134.4
[M+Na]+ 266.89646 144.6
[M-H]- 242.89996 130.4
[M+NH4]+ 261.94106 153.2
[M+K]+ 282.87040 140.2
[M+H-H2O]+ 226.90450 130.9
[M+HCOO]- 288.90544 137.9
[M+CH3COO]- 302.92109 186.3
[M+Na-2H]- 264.88191 139.3
[M]+ 243.90669 134.4
[M]- 243.90779 134.4
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