CID 137952175

2-chloro-4,4-diethoxy-1,1,1-trifluorobutane

Structural Information

Molecular Formula
C8H14ClF3O2
SMILES
CCOC(CC(C(F)(F)F)Cl)OCC
InChI
InChI=1S/C8H14ClF3O2/c1-3-13-7(14-4-2)5-6(9)8(10,11)12/h6-7H,3-5H2,1-2H3
InChIKey
MHAGBBDZQWYOFN-UHFFFAOYSA-N
Compound name
2-chloro-4,4-diethoxy-1,1,1-trifluorobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.06345 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.07073 145.4
[M+Na]+ 257.05267 152.8
[M-H]- 233.05617 141.6
[M+NH4]+ 252.09727 164.3
[M+K]+ 273.02661 150.8
[M+H-H2O]+ 217.06071 139.2
[M+HCOO]- 279.06165 158.1
[M+CH3COO]- 293.07730 190.6
[M+Na-2H]- 255.03812 147.7
[M]+ 234.06290 146.8
[M]- 234.06400 146.8
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

No patent data available for this compound.