CID 137964291

Tert-butyl n-[4-(4-fluorooxan-4-yl)phenyl]carbamate

Structural Information

Molecular Formula
C16H22FNO3
SMILES
CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2(CCOCC2)F
InChI
InChI=1S/C16H22FNO3/c1-15(2,3)21-14(19)18-13-6-4-12(5-7-13)16(17)8-10-20-11-9-16/h4-7H,8-11H2,1-3H3,(H,18,19)
InChIKey
TXBOPBFRZNOSJA-UHFFFAOYSA-N
Compound name
tert-butyl N-[4-(4-fluorooxan-4-yl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1584 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16568 169.0
[M+Na]+ 318.14762 173.5
[M-H]- 294.15112 174.3
[M+NH4]+ 313.19222 184.5
[M+K]+ 334.12156 172.7
[M+H-H2O]+ 278.15566 161.4
[M+HCOO]- 340.15660 185.8
[M+CH3COO]- 354.17225 202.0
[M+Na-2H]- 316.13307 174.0
[M]+ 295.15785 166.4
[M]- 295.15895 166.4
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.