CID 24689211

Tert-butyl n-[2-amino-4-(trifluoromethyl)phenyl]carbamate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

276.10855 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11583 159.5
[M+Na]+ 299.09777 166.9
[M-H]- 275.10127 159.2
[M+NH4]+ 294.14237 175.3
[M+K]+ 315.07171 164.6
[M+H-H2O]+ 259.10581 151.1
[M+HCOO]- 321.10675 177.7
[M+CH3COO]- 335.12240 202.4
[M+Na-2H]- 297.08322 162.8
[M]+ 276.10800 155.2
[M]- 276.10910 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