CID 11807470

Tert-butyl n-(5-amino-2,3,4-trifluorophenyl)carbamate

Structural Information

Molecular Formula
C11H13F3N2O2
SMILES
CC(C)(C)OC(=O)NC1=C(C(=C(C(=C1)N)F)F)F
InChI
InChI=1S/C11H13F3N2O2/c1-11(2,3)18-10(17)16-6-4-5(15)7(12)9(14)8(6)13/h4H,15H2,1-3H3,(H,16,17)
InChIKey
QBBQRQYQHYXDJC-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-amino-2,3,4-trifluorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

262.09293 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.10021 159.1
[M+Na]+ 285.08215 166.3
[M+NH4]+ 280.12675 163.1
[M+K]+ 301.05609 162.7
[M-H]- 261.08565 156.0
[M+Na-2H]- 283.06760 161.0
[M]+ 262.09238 158.8
[M]- 262.09348 158.8
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