CID 11074936

1-chloro-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane

Structural Information

Molecular Formula
C3ClF7O
SMILES
C(C(F)(F)Cl)(OC(F)(F)F)(F)F
InChI
InChI=1S/C3ClF7O/c4-1(5,6)2(7,8)12-3(9,10)11
InChIKey
KBVRCFVKEVGGSC-UHFFFAOYSA-N
Compound name
1-chloro-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

219.95259 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.95987 128.5
[M+Na]+ 242.94181 139.3
[M-H]- 218.94531 120.9
[M+NH4]+ 237.98641 147.5
[M+K]+ 258.91575 136.5
[M+H-H2O]+ 202.94985 120.4
[M+HCOO]- 264.95079 137.0
[M+CH3COO]- 278.96644 185.0
[M+Na-2H]- 240.92726 135.1
[M]+ 219.95204 121.1
[M]- 219.95314 121.1
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

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