CID 59455734

1187055-61-3

Structural Information

Molecular Formula
C11H13F3N2O2
SMILES
CC(C)(C)OC(=O)NC1=CN=CC(=C1)C(F)(F)F
InChI
InChI=1S/C11H13F3N2O2/c1-10(2,3)18-9(17)16-8-4-7(5-15-6-8)11(12,13)14/h4-6H,1-3H3,(H,16,17)
InChIKey
FPMPSEZVIVLPGK-UHFFFAOYSA-N
Compound name
tert-butyl N-[5-(trifluoromethyl)pyridin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

262.09293 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.10021 159.3
[M+Na]+ 285.08215 166.3
[M+NH4]+ 280.12675 162.9
[M+K]+ 301.05609 163.0
[M-H]- 261.08565 154.6
[M+Na-2H]- 283.06760 162.1
[M]+ 262.09238 158.5
[M]- 262.09348 158.5
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