CID 205998

Schembl1256188

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

303
Patents

250.00401 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.011286 140.7
[M+Na]+ 272.993228 149.9
[M-H]- 248.996734 130.3
[M+NH4]+ 268.037833 157.3
[M+K]+ 288.967168 148.3
[M+H-H2O]+ 233.001270 129.8
[M+HCOO]- 295.002211 149.7
[M+CH3COO]- 309.017861 193.3
[M+Na-2H]- 270.978676 143.9
[M]+ 250.00346142 128.4
[M]- 250.00455858 128.4
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