CID 71325186

89608-45-7

Structural Information

Molecular Formula
C8H5F7O2
SMILES
C1COC(=O)C1=CC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H5F7O2/c9-6(10,7(11,12)8(13,14)15)3-4-1-2-17-5(4)16/h3H,1-2H2
InChIKey
ZJUOJFUEUWDGJY-UHFFFAOYSA-N
Compound name
3-(2,2,3,3,4,4,4-heptafluorobutylidene)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

266.0178 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.02508 146.1
[M+Na]+ 289.00702 154.9
[M-H]- 265.01052 141.5
[M+NH4]+ 284.05162 162.7
[M+K]+ 304.98096 153.0
[M+H-H2O]+ 249.01506 136.8
[M+HCOO]- 311.01600 156.5
[M+CH3COO]- 325.03165 192.5
[M+Na-2H]- 286.99247 149.8
[M]+ 266.01725 135.2
[M]- 266.01835 135.2
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

No patent data available for this compound.