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
2
Annotation Hits

0
References

37
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 140.6
[M+Na]+ 272.99323 149.7
[M-H]- 248.99673 130.1
[M+NH4]+ 268.03783 157.1
[M+K]+ 288.96717 148.1
[M+H-H2O]+ 233.00127 129.6
[M+HCOO]- 295.00221 149.6
[M+CH3COO]- 309.01786 194.0
[M+Na-2H]- 270.97868 143.8
[M]+ 250.00346 128.3
[M]- 250.00456 128.3
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

patents stripe