CID 11840937

25352-91-4

Structural Information

Molecular Formula
C4H5F5O
SMILES
CC(OCC(F)(F)F)(F)F
InChI
InChI=1S/C4H5F5O/c1-3(5,6)10-2-4(7,8)9/h2H2,1H3
InChIKey
LUGFHDZVRRASHY-UHFFFAOYSA-N
Compound name
2-(1,1-difluoroethoxy)-1,1,1-trifluoroethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

164.02606 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.033336 125.0
[M+Na]+ 187.015278 134.2
[M-H]- 163.018784 119.4
[M+NH4]+ 182.059883 145.7
[M+K]+ 202.989218 133.7
[M+H-H2O]+ 147.023320 117.4
[M+HCOO]- 209.024261 141.2
[M+CH3COO]- 223.039911 177.6
[M+Na-2H]- 185.000726 131.6
[M]+ 164.02551142 119.4
[M]- 164.02660858 119.4
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