CID 18464844

2-chloroethyl 2,2,2-trifluoroethyl ether

Structural Information

Molecular Formula
C4H6ClF3O
SMILES
C(CCl)OCC(F)(F)F
InChI
InChI=1S/C4H6ClF3O/c5-1-2-9-3-4(6,7)8/h1-3H2
InChIKey
PSPSSKGNQJKXHK-UHFFFAOYSA-N
Compound name
2-(2-chloroethoxy)-1,1,1-trifluoroethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

162.00592 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.01320 124.2
[M+Na]+ 184.99514 133.6
[M-H]- 160.99864 120.8
[M+NH4]+ 180.03974 145.9
[M+K]+ 200.96908 131.3
[M+H-H2O]+ 145.00318 118.7
[M+HCOO]- 207.00412 139.7
[M+CH3COO]- 221.01977 175.1
[M+Na-2H]- 182.98059 130.9
[M]+ 162.00537 123.7
[M]- 162.00647 123.7
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