CID 137935567

Tert-butyl n-[6-(bromodifluoromethyl)pyridin-3-yl]carbamate

Structural Information

Molecular Formula
C11H13BrF2N2O2
SMILES
CC(C)(C)OC(=O)NC1=CN=C(C=C1)C(F)(F)Br
InChI
InChI=1S/C11H13BrF2N2O2/c1-10(2,3)18-9(17)16-7-4-5-8(15-6-7)11(12,13)14/h4-6H,1-3H3,(H,16,17)
InChIKey
VSDYGHDQWQUPDW-UHFFFAOYSA-N
Compound name
tert-butyl N-[6-[bromo(difluoro)methyl]pyridin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.01285 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.02013 165.0
[M+Na]+ 345.00207 175.5
[M-H]- 321.00557 167.5
[M+NH4]+ 340.04667 181.6
[M+K]+ 360.97601 164.3
[M+H-H2O]+ 305.01011 162.4
[M+HCOO]- 367.01105 180.6
[M+CH3COO]- 381.02670 203.3
[M+Na-2H]- 342.98752 171.5
[M]+ 322.01230 182.0
[M]- 322.01340 182.0
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

No patent data available for this compound.