CID 131677189

Tert-butyl(2-(2-bromo-2,2-difluoroacetamido)ethyl)carbamate

Structural Information

Molecular Formula
C9H15BrF2N2O3
SMILES
CC(C)(C)OC(=O)NCCNC(=O)C(F)(F)Br
InChI
InChI=1S/C9H15BrF2N2O3/c1-8(2,3)17-7(16)14-5-4-13-6(15)9(10,11)12/h4-5H2,1-3H3,(H,13,15)(H,14,16)
InChIKey
LGQPXGWTFUETNV-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[(2-bromo-2,2-difluoroacetyl)amino]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.0234 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.03068 164.2
[M+Na]+ 339.01262 172.6
[M-H]- 315.01612 164.3
[M+NH4]+ 334.05722 181.6
[M+K]+ 354.98656 162.1
[M+H-H2O]+ 299.02066 161.5
[M+HCOO]- 361.02160 180.3
[M+CH3COO]- 375.03725 204.3
[M+Na-2H]- 336.99807 168.7
[M]+ 316.02285 180.6
[M]- 316.02395 180.6
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.