CID 19063484

50428-19-8

Structural Information

Molecular Formula
C5H3F9O
SMILES
C(C(C(C(F)(F)F)(F)F)(F)F)OC(F)F
InChI
InChI=1S/C5H3F9O/c6-2(7)15-1-3(8,9)4(10,11)5(12,13)14/h2H,1H2
InChIKey
QDWBWHGTTUZIIT-UHFFFAOYSA-N
Compound name
4-(difluoromethoxy)-1,1,1,2,2,3,3-heptafluorobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

250.00401 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.01129 178.3
[M+Na]+ 272.99323 179.5
[M+NH4]+ 268.03783 178.1
[M+K]+ 288.96717 176.8
[M-H]- 248.99673 170.3
[M+Na-2H]- 270.97868 175.6
[M]+ 250.00346 175.8
[M]- 250.00456 175.8
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

patents stripe