CID 5206

Sevoflurane

Structural Information

Molecular Formula
C4H3F7O
SMILES
C(OC(C(F)(F)F)C(F)(F)F)F
InChI
InChI=1S/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2
InChIKey
DFEYYRMXOJXZRJ-UHFFFAOYSA-N
Compound name
1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

9656
References

11994
Patents

200.00722 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.01450 164.0
[M+Na]+ 222.99644 166.7
[M+NH4]+ 218.04104 165.2
[M+K]+ 238.97038 163.5
[M-H]- 198.99994 155.5
[M+Na-2H]- 220.98189 162.2
[M]+ 200.00667 161.5
[M]- 200.00777 161.5
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