CID 12052264

250371-88-1

Structural Information

Molecular Formula
C16H21FN2O5
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)OC2=C(C=C(C=C2)[N+](=O)[O-])F
InChI
InChI=1S/C16H21FN2O5/c1-16(2,3)24-15(20)18-8-6-12(7-9-18)23-14-5-4-11(19(21)22)10-13(14)17/h4-5,10,12H,6-9H2,1-3H3
InChIKey
ZYMMCZDHFJZAEQ-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-fluoro-4-nitrophenoxy)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

340.14346 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.15074 176.8
[M+Na]+ 363.13268 181.0
[M-H]- 339.13618 180.4
[M+NH4]+ 358.17728 188.0
[M+K]+ 379.10662 175.3
[M+H-H2O]+ 323.14072 172.4
[M+HCOO]- 385.14166 193.2
[M+CH3COO]- 399.15731 203.6
[M+Na-2H]- 361.11813 180.4
[M]+ 340.14291 173.8
[M]- 340.14401 173.8
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