CID 45082563

126111-14-6

Structural Information

Molecular Formula
C6H9F2NO2
SMILES
COC(=O)[C@@H]1CC(CN1)(F)F
InChI
InChI=1S/C6H9F2NO2/c1-11-5(10)4-2-6(7,8)3-9-4/h4,9H,2-3H2,1H3/t4-/m0/s1
InChIKey
RPYSGPRTWAWWKK-BYPYZUCNSA-N
Compound name
methyl (2S)-4,4-difluoropyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

280
Patents

165.06013 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.06741 130.1
[M+Na]+ 188.04935 138.1
[M-H]- 164.05285 128.5
[M+NH4]+ 183.09395 152.4
[M+K]+ 204.02329 136.9
[M+H-H2O]+ 148.05739 123.8
[M+HCOO]- 210.05833 148.2
[M+CH3COO]- 224.07398 172.5
[M+Na-2H]- 186.03480 133.3
[M]+ 165.05958 125.2
[M]- 165.06068 125.2
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

No patent data available for this compound.