CID 89399883

2-(3,3-difluoroazetidin-1-yl)acetic acid hydrochloride

Structural Information

Molecular Formula
C5H7F2NO2
SMILES
C1C(CN1CC(=O)O)(F)F
InChI
InChI=1S/C5H7F2NO2/c6-5(7)2-8(3-5)1-4(9)10/h1-3H2,(H,9,10)
InChIKey
FAVTXFFJYIRTRM-UHFFFAOYSA-N
Compound name
2-(3,3-difluoroazetidin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

151.04448 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.05176 127.9
[M+Na]+ 174.03370 135.2
[M-H]- 150.03720 126.7
[M+NH4]+ 169.07830 142.5
[M+K]+ 190.00764 137.2
[M+H-H2O]+ 134.04174 117.2
[M+HCOO]- 196.04268 145.1
[M+CH3COO]- 210.05833 175.8
[M+Na-2H]- 172.01915 132.6
[M]+ 151.04393 133.1
[M]- 151.04503 133.1
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

patents stripe