CID 24688551

Tert-butyl n-[4-amino-3-(trifluoromethyl)phenyl]carbamate

Structural Information

Molecular Formula
C12H15F3N2O2
SMILES
CC(C)(C)OC(=O)NC1=CC(=C(C=C1)N)C(F)(F)F
InChI
InChI=1S/C12H15F3N2O2/c1-11(2,3)19-10(18)17-7-4-5-9(16)8(6-7)12(13,14)15/h4-6H,16H2,1-3H3,(H,17,18)
InChIKey
DTKZULVOXVVIHP-UHFFFAOYSA-N
Compound name
tert-butyl N-[4-amino-3-(trifluoromethyl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

276.10855 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.115826 159.5
[M+Na]+ 299.097768 166.9
[M-H]- 275.101274 159.2
[M+NH4]+ 294.142373 175.3
[M+K]+ 315.071708 164.6
[M+H-H2O]+ 259.105810 151.1
[M+HCOO]- 321.106751 177.7
[M+CH3COO]- 335.122401 202.4
[M+Na-2H]- 297.083216 162.8
[M]+ 276.10800142 155.2
[M]- 276.10909858 155.2
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