CID 137965615

2230798-38-4

Structural Information

Molecular Formula
C15H18FNO4
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C2=CC=CC(=C2)C(=O)O)F
InChI
InChI=1S/C15H18FNO4/c1-14(2,3)21-13(20)17-8-15(16,9-17)11-6-4-5-10(7-11)12(18)19/h4-7H,8-9H2,1-3H3,(H,18,19)
InChIKey
APRLCZKGKLEJIY-UHFFFAOYSA-N
Compound name
3-[3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.12198 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.12926 169.1
[M+Na]+ 318.11120 174.6
[M-H]- 294.11470 171.8
[M+NH4]+ 313.15580 177.9
[M+K]+ 334.08514 175.9
[M+H-H2O]+ 278.11924 157.1
[M+HCOO]- 340.12018 183.6
[M+CH3COO]- 354.13583 201.6
[M+Na-2H]- 316.09665 170.7
[M]+ 295.12143 177.7
[M]- 295.12253 177.7
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

No patent data available for this compound.