CID 112564274

3-(difluoromethyl)-3-fluoropyrrolidine hydrochloride

Structural Information

Molecular Formula
C5H8F3N
SMILES
C1CNCC1(C(F)F)F
InChI
InChI=1S/C5H8F3N/c6-4(7)5(8)1-2-9-3-5/h4,9H,1-3H2
InChIKey
YYVRBTHOXCPLTR-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)-3-fluoropyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.06088 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.06816 123.9
[M+Na]+ 162.05010 131.1
[M-H]- 138.05360 120.6
[M+NH4]+ 157.09470 146.8
[M+K]+ 178.02404 129.4
[M+H-H2O]+ 122.05814 116.4
[M+HCOO]- 184.05908 140.5
[M+CH3COO]- 198.07473 168.9
[M+Na-2H]- 160.03555 127.4
[M]+ 139.06033 114.8
[M]- 139.06143 114.8
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

No patent data available for this compound.