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 155.0
[M+Na]+ 285.08215 164.2
[M-H]- 261.08565 155.3
[M+NH4]+ 280.12675 171.8
[M+K]+ 301.05609 161.7
[M+H-H2O]+ 245.09019 146.6
[M+HCOO]- 307.09113 175.1
[M+CH3COO]- 321.10678 202.1
[M+Na-2H]- 283.06760 156.5
[M]+ 262.09238 151.8
[M]- 262.09348 151.8
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