CID 53437011

2,2,3,3-tetrafluorobutyl carbonate

Structural Information

Molecular Formula
C5H6F4O3
SMILES
CC(C(COC(=O)O)(F)F)(F)F
InChI
InChI=1S/C5H6F4O3/c1-4(6,7)5(8,9)2-12-3(10)11/h2H2,1H3,(H,10,11)
InChIKey
JQRHMMZYONHHPQ-UHFFFAOYSA-N
Compound name
2,2,3,3-tetrafluorobutyl hydrogen carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

190.0253 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.03258 131.5
[M+Na]+ 213.01452 139.7
[M-H]- 189.01802 125.6
[M+NH4]+ 208.05912 150.3
[M+K]+ 228.98846 139.3
[M+H-H2O]+ 173.02256 124.6
[M+HCOO]- 235.02350 146.7
[M+CH3COO]- 249.03915 178.6
[M+Na-2H]- 210.99997 136.7
[M]+ 190.02475 127.2
[M]- 190.02585 127.2
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