CID 49793725

3,3-difluoro-5-(iodomethyl)oxolan-2-one

Structural Information

Molecular Formula
C5H5F2IO2
SMILES
C1C(OC(=O)C1(F)F)CI
InChI
InChI=1S/C5H5F2IO2/c6-5(7)1-3(2-8)10-4(5)9/h3H,1-2H2
InChIKey
BROYASGEUFSTBD-UHFFFAOYSA-N
Compound name
3,3-difluoro-5-(iodomethyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

261.93024 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.93752 130.3
[M+Na]+ 284.91946 133.0
[M-H]- 260.92296 125.6
[M+NH4]+ 279.96406 148.9
[M+K]+ 300.89340 138.7
[M+H-H2O]+ 244.92750 121.7
[M+HCOO]- 306.92844 146.4
[M+CH3COO]- 320.94409 182.3
[M+Na-2H]- 282.90491 124.0
[M]+ 261.92969 125.8
[M]- 261.93079 125.8
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