CID 42113

Desflurane

Structural Information

Molecular Formula
C3H2F6O
SMILES
C(C(F)(F)F)(OC(F)F)F
InChI
InChI=1S/C3H2F6O/c4-1(3(7,8)9)10-2(5)6/h1-2H
InChIKey
DPYMFVXJLLWWEU-UHFFFAOYSA-N
Compound name
2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

2289
References

7703
Patents

168.00098 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.008256 123.0
[M+Na]+ 190.990198 131.6
[M-H]- 166.993704 116.0
[M+NH4]+ 186.034803 143.1
[M+K]+ 206.964138 131.5
[M+H-H2O]+ 150.998240 114.0
[M+HCOO]- 212.999181 138.0
[M+CH3COO]- 227.014831 178.8
[M+Na-2H]- 188.975646 126.3
[M]+ 168.00043142 114.9
[M]- 168.00152858 114.9
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