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

13276
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 130.5
[M+Na]+ 222.99644 139.5
[M-H]- 198.99994 122.3
[M+NH4]+ 218.04104 149.4
[M+K]+ 238.97038 138.7
[M+H-H2O]+ 183.00448 121.0
[M+HCOO]- 245.00542 143.5
[M+CH3COO]- 259.02107 183.7
[M+Na-2H]- 220.98189 134.6
[M]+ 200.00667 121.3
[M]- 200.00777 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.