CID 162535187

3-(difluoromethylidene)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C5H7F2N
SMILES
C1CNCC1=C(F)F
InChI
InChI=1S/C5H7F2N/c6-5(7)4-1-2-8-3-4/h8H,1-3H2
InChIKey
KCDCBIKKPYNMFT-UHFFFAOYSA-N
Compound name
3-(difluoromethylidene)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

119.05466 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.06194 121.4
[M+Na]+ 142.04388 128.0
[M-H]- 118.04738 119.1
[M+NH4]+ 137.08848 143.2
[M+K]+ 158.01782 126.0
[M+H-H2O]+ 102.05192 114.1
[M+HCOO]- 164.05286 139.3
[M+CH3COO]- 178.06851 164.9
[M+Na-2H]- 140.02933 124.4
[M]+ 119.05411 112.4
[M]- 119.05521 112.4
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