CID 65918807

1227617-38-0

Structural Information

Molecular Formula
C14H17F2NO3
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C2=CC(=C(C=C2)F)F)O
InChI
InChI=1S/C14H17F2NO3/c1-13(2,3)20-12(18)17-7-14(19,8-17)9-4-5-10(15)11(16)6-9/h4-6,19H,7-8H2,1-3H3
InChIKey
IGEGOOFDIBQXOY-UHFFFAOYSA-N
Compound name
tert-butyl 3-(3,4-difluorophenyl)-3-hydroxyazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

285.11765 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.12493 165.5
[M+Na]+ 308.10687 172.7
[M-H]- 284.11037 167.4
[M+NH4]+ 303.15147 175.3
[M+K]+ 324.08081 173.1
[M+H-H2O]+ 268.11491 153.0
[M+HCOO]- 330.11585 179.9
[M+CH3COO]- 344.13150 200.4
[M+Na-2H]- 306.09232 167.4
[M]+ 285.11710 172.9
[M]- 285.11820 172.9
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