CID 131003253

2567489-28-3

Structural Information

Molecular Formula
C6H9F2NO2
SMILES
C1[C@H](NCC1(F)F)CC(=O)O
InChI
InChI=1S/C6H9F2NO2/c7-6(8)2-4(9-3-6)1-5(10)11/h4,9H,1-3H2,(H,10,11)/t4-/m1/s1
InChIKey
BCSOFHOWQXDZMC-SCSAIBSYSA-N
Compound name
2-[(2R)-4,4-difluoropyrrolidin-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

165.06013 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.06741 130.8
[M+Na]+ 188.04935 138.3
[M-H]- 164.05285 127.7
[M+NH4]+ 183.09395 152.2
[M+K]+ 204.02329 136.1
[M+H-H2O]+ 148.05739 124.7
[M+HCOO]- 210.05833 147.3
[M+CH3COO]- 224.07398 170.6
[M+Na-2H]- 186.03480 133.5
[M]+ 165.05958 124.0
[M]- 165.06068 124.0
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