CID 178244140

3,3-difluoro-1-oxido-2,4-dihydropyrrol-1-ium

Structural Information

Molecular Formula
C4H5F2NO
SMILES
C1C=[N+](CC1(F)F)[O-]
InChI
InChI=1S/C4H5F2NO/c5-4(6)1-2-7(8)3-4/h2H,1,3H2
InChIKey
BKXLOVZZVOLNDR-UHFFFAOYSA-N
Compound name
3,3-difluoro-1-oxido-2,4-dihydropyrrol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

121.03392 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.041196 116.1
[M+Na]+ 144.023138 125.9
[M-H]- 120.026644 115.2
[M+NH4]+ 139.067743 140.1
[M+K]+ 159.997078 120.5
[M+H-H2O]+ 104.031180 115.0
[M+HCOO]- 166.032121 137.7
[M+CH3COO]- 180.047771 157.9
[M+Na-2H]- 142.008586 124.6
[M]+ 121.03337142 110.2
[M]- 121.03446858 110.2
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.