CID 71755615

3-(difluoromethyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C5H9F2N
SMILES
C1CNCC1C(F)F
InChI
InChI=1S/C5H9F2N/c6-5(7)4-1-2-8-3-4/h4-5,8H,1-3H2
InChIKey
UZOUSFRKYIBWJB-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

166
Patents

121.070305 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.077581 122.3
[M+Na]+ 144.059523 128.6
[M-H]- 120.063029 120.0
[M+NH4]+ 139.104128 144.0
[M+K]+ 160.033463 127.2
[M+H-H2O]+ 104.067565 115.0
[M+HCOO]- 166.068506 140.0
[M+CH3COO]- 180.084156 166.5
[M+Na-2H]- 142.044971 125.3
[M]+ 121.06975642 114.2
[M]- 121.07085358 114.2
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

patents stripe