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]+ 140.068156 123.9
[M+Na]+ 162.050098 131.1
[M-H]- 138.053604 120.6
[M+NH4]+ 157.094703 146.8
[M+K]+ 178.024038 129.4
[M+H-H2O]+ 122.058140 116.4
[M+HCOO]- 184.059081 140.5
[M+CH3COO]- 198.074731 168.9
[M+Na-2H]- 160.035546 127.4
[M]+ 139.06033142 114.8
[M]- 139.06142858 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.