CID 54456817

4-[(2,2,3,3,4,4,4-heptafluorobutoxy)methyl]-1,3-dioxolan-2-one

Structural Information

Molecular Formula
C8H7F7O4
SMILES
C1C(OC(=O)O1)COCC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H7F7O4/c9-6(10,7(11,12)8(13,14)15)3-17-1-4-2-18-5(16)19-4/h4H,1-3H2
InChIKey
WYTSCNURXYPSNP-UHFFFAOYSA-N
Compound name
4-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-1,3-dioxolan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

300.02325 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.03053 152.7
[M+Na]+ 323.01247 161.0
[M-H]- 299.01597 148.6
[M+NH4]+ 318.05707 166.6
[M+K]+ 338.98641 161.6
[M+H-H2O]+ 283.02051 143.3
[M+HCOO]- 345.02145 162.5
[M+CH3COO]- 359.03710 198.3
[M+Na-2H]- 320.99792 157.9
[M]+ 300.02270 146.0
[M]- 300.02380 146.0
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