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
7
Annotation Hits

2284
References

7095
Patents

168.00098 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.00826 151.4
[M+Na]+ 190.99020 155.2
[M+NH4]+ 186.03480 153.7
[M+K]+ 206.96414 152.0
[M-H]- 166.99370 143.4
[M+Na-2H]- 188.97565 150.4
[M]+ 168.00043 149.1
[M]- 168.00153 149.1
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

patents stripe