CID 118295548

Tert-butyl (2-bromo-3-fluoropyridin-4-yl)carbamate

Structural Information

Molecular Formula
C10H12BrFN2O2
SMILES
CC(C)(C)OC(=O)NC1=C(C(=NC=C1)Br)F
InChI
InChI=1S/C10H12BrFN2O2/c1-10(2,3)16-9(15)14-6-4-5-13-8(11)7(6)12/h4-5H,1-3H3,(H,13,14,15)
InChIKey
PYWNFGFQSRSJPQ-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-bromo-3-fluoropyridin-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

290.00662 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.01390 155.6
[M+Na]+ 312.99584 167.0
[M-H]- 288.99934 159.7
[M+NH4]+ 308.04044 173.8
[M+K]+ 328.96978 156.1
[M+H-H2O]+ 273.00388 153.7
[M+HCOO]- 335.00482 174.1
[M+CH3COO]- 349.02047 198.6
[M+Na-2H]- 310.98129 161.9
[M]+ 290.00607 174.4
[M]- 290.00717 174.4
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