CID 132398837

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

Structural Information

Molecular Formula
C5H6F2INO
SMILES
C1C(NC(=O)C1(F)F)CI
InChI
InChI=1S/C5H6F2INO/c6-5(7)1-3(2-8)9-4(5)10/h3H,1-2H2,(H,9,10)
InChIKey
DOCPMEJUQDHZFC-UHFFFAOYSA-N
Compound name
3,3-difluoro-5-(iodomethyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.94623 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.95351 129.8
[M+Na]+ 283.93545 132.2
[M-H]- 259.93895 121.9
[M+NH4]+ 278.98005 147.8
[M+K]+ 299.90939 135.7
[M+H-H2O]+ 243.94349 120.5
[M+HCOO]- 305.94443 144.1
[M+CH3COO]- 319.96008 180.4
[M+Na-2H]- 281.92090 122.1
[M]+ 260.94568 122.2
[M]- 260.94678 122.2
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.