CID 83479519

1779788-81-6

Structural Information

Molecular Formula
C5H7F2NO2
SMILES
C1C(C(CN1)(F)F)C(=O)O
InChI
InChI=1S/C5H7F2NO2/c6-5(7)2-8-1-3(5)4(9)10/h3,8H,1-2H2,(H,9,10)
InChIKey
YUEIOVYMYKQWLD-UHFFFAOYSA-N
Compound name
4,4-difluoropyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.04448 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.05176 126.2
[M+Na]+ 174.03370 134.2
[M-H]- 150.03720 123.3
[M+NH4]+ 169.07830 148.2
[M+K]+ 190.00764 132.3
[M+H-H2O]+ 134.04174 120.3
[M+HCOO]- 196.04268 143.1
[M+CH3COO]- 210.05833 167.6
[M+Na-2H]- 172.01915 129.4
[M]+ 151.04393 119.1
[M]- 151.04503 119.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.