CID 107335369

Tert-butyl n-(3-fluoro-5-nitrophenyl)carbamate

Structural Information

Molecular Formula
C11H13FN2O4
SMILES
CC(C)(C)OC(=O)NC1=CC(=CC(=C1)F)[N+](=O)[O-]
InChI
InChI=1S/C11H13FN2O4/c1-11(2,3)18-10(15)13-8-4-7(12)5-9(6-8)14(16)17/h4-6H,1-3H3,(H,13,15)
InChIKey
VYGJKKFOLSFPDF-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-fluoro-5-nitrophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.08594 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09322 150.9
[M+Na]+ 279.07516 160.9
[M+NH4]+ 274.11976 156.5
[M+K]+ 295.04910 159.9
[M-H]- 255.07866 151.3
[M+Na-2H]- 277.06061 155.1
[M]+ 256.08539 152.0
[M]- 256.08649 152.0
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.