CID 162535187

2866354-42-7

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

5
Patents

119.05466 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.061936 121.4
[M+Na]+ 142.043878 128.0
[M-H]- 118.047384 119.1
[M+NH4]+ 137.088483 143.2
[M+K]+ 158.017818 126.0
[M+H-H2O]+ 102.051920 114.1
[M+HCOO]- 164.052861 139.3
[M+CH3COO]- 178.068511 164.9
[M+Na-2H]- 140.029326 124.4
[M]+ 119.05411142 112.4
[M]- 119.05520858 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