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
9
Annotation Hits

9736
References

13417
Patents

200.00722 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.014496 130.5
[M+Na]+ 222.996438 139.5
[M-H]- 198.999944 122.3
[M+NH4]+ 218.041043 149.4
[M+K]+ 238.970378 138.7
[M+H-H2O]+ 183.004480 121.0
[M+HCOO]- 245.005421 143.5
[M+CH3COO]- 259.021071 183.7
[M+Na-2H]- 220.981886 134.6
[M]+ 200.00667142 121.3
[M]- 200.00776858 121.3
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