CID 155858346

2580092-71-1

Structural Information

Molecular Formula
C7H11F2NO2
SMILES
COC(=O)C[C@@H]1CC(CN1)(F)F
InChI
InChI=1S/C7H11F2NO2/c1-12-6(11)2-5-3-7(8,9)4-10-5/h5,10H,2-4H2,1H3/t5-/m1/s1
InChIKey
IQILIDOBXWXRLN-RXMQYKEDSA-N
Compound name
methyl 2-[(2R)-4,4-difluoropyrrolidin-2-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.07579 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08307 134.7
[M+Na]+ 202.06501 142.3
[M-H]- 178.06851 132.9
[M+NH4]+ 197.10961 156.4
[M+K]+ 218.03895 140.8
[M+H-H2O]+ 162.07305 128.2
[M+HCOO]- 224.07399 152.5
[M+CH3COO]- 238.08964 175.6
[M+Na-2H]- 200.05046 137.4
[M]+ 179.07524 130.1
[M]- 179.07634 130.1
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.