CID 11819215

1881265-73-1

Structural Information

Molecular Formula
C5H7F2NO2
SMILES
C1CNC(C1(F)F)C(=O)O
InChI
InChI=1S/C5H7F2NO2/c6-5(7)1-2-8-3(5)4(9)10/h3,8H,1-2H2,(H,9,10)
InChIKey
AKYUQSFIIOIBHO-UHFFFAOYSA-N
Compound name
3,3-difluoropyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

173
Patents

151.04448 Da
Monoisotopic Mass

-2.1
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

patents stripe