CID 24689211

579474-48-9

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

77
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 162.6
[M+Na]+ 299.09777 168.6
[M+NH4]+ 294.14237 166.3
[M+K]+ 315.07171 165.7
[M-H]- 275.10127 158.8
[M+Na-2H]- 297.08322 164.7
[M]+ 276.10800 161.9
[M]- 276.10910 161.9
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