CID 136152

2-chloro-1,1,2-trifluoroethyl ethyl ether

Structural Information

Molecular Formula
C4H6ClF3O
SMILES
CCOC(C(F)Cl)(F)F
InChI
InChI=1S/C4H6ClF3O/c1-2-9-4(7,8)3(5)6/h3H,2H2,1H3
InChIKey
WOKICPFFJCXEDW-UHFFFAOYSA-N
Compound name
2-chloro-1-ethoxy-1,1,2-trifluoroethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

162.00592 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.01320 123.7
[M+Na]+ 184.99514 132.8
[M-H]- 160.99864 120.4
[M+NH4]+ 180.03974 145.3
[M+K]+ 200.96908 131.0
[M+H-H2O]+ 145.00318 118.3
[M+HCOO]- 207.00412 138.3
[M+CH3COO]- 221.01977 176.6
[M+Na-2H]- 182.98059 129.3
[M]+ 162.00537 122.7
[M]- 162.00647 122.7
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