CID 102791

2356-53-8

Structural Information

Molecular Formula
C3Cl2F6O
SMILES
C(C(F)(F)Cl)(OC(F)(F)F)(F)Cl
InChI
InChI=1S/C3Cl2F6O/c4-1(6,7)2(5,8)12-3(9,10)11
InChIKey
PIHHZNWHYDIJIP-UHFFFAOYSA-N
Compound name
1,2-dichloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

28
Patents

235.92303 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.93031 129.7
[M+Na]+ 258.91225 140.7
[M-H]- 234.91575 122.9
[M+NH4]+ 253.95685 148.6
[M+K]+ 274.88619 136.6
[M+H-H2O]+ 218.92029 123.1
[M+HCOO]- 280.92123 134.5
[M+CH3COO]- 294.93688 186.6
[M+Na-2H]- 256.89770 136.3
[M]+ 235.92248 124.8
[M]- 235.92358 124.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe