CID 22104774

2,2,3,3,4,4,4-heptafluorobutyl methyl carbonate

Structural Information

Molecular Formula
C6H5F7O3
SMILES
COC(=O)OCC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H5F7O3/c1-15-3(14)16-2-4(7,8)5(9,10)6(11,12)13/h2H2,1H3
InChIKey
RXRYHOSPFTYBRA-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluorobutyl methyl carbonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

23
Patents

258.0127 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.01998 143.6
[M+Na]+ 281.00192 152.6
[M-H]- 257.00542 135.6
[M+NH4]+ 276.04652 160.2
[M+K]+ 296.97586 152.1
[M+H-H2O]+ 241.00996 134.2
[M+HCOO]- 303.01090 155.2
[M+CH3COO]- 317.02655 192.4
[M+Na-2H]- 278.98737 148.1
[M]+ 258.01215 136.7
[M]- 258.01325 136.7
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