CID 137944777

4,4-diethoxy-1,1,1-trifluorobut-2-yne

Structural Information

Molecular Formula
C8H11F3O2
SMILES
CCOC(C#CC(F)(F)F)OCC
InChI
InChI=1S/C8H11F3O2/c1-3-12-7(13-4-2)5-6-8(9,10)11/h7H,3-4H2,1-2H3
InChIKey
QAAUMTMERDVBCY-UHFFFAOYSA-N
Compound name
4,4-diethoxy-1,1,1-trifluorobut-2-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.07112 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.07840 133.4
[M+Na]+ 219.06034 142.3
[M-H]- 195.06384 129.4
[M+NH4]+ 214.10494 150.7
[M+K]+ 235.03428 141.3
[M+H-H2O]+ 179.06838 120.7
[M+HCOO]- 241.06932 146.6
[M+CH3COO]- 255.08497 191.5
[M+Na-2H]- 217.04579 137.0
[M]+ 196.07057 127.5
[M]- 196.07167 127.5
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.