CID 42614636

Potassium tert-butyl n-[2-(trifluoroboranuidyl)ethyl]carbamate

Structural Information

Molecular Formula
C7H14BF3NO2
SMILES
[B-](CCNC(=O)OC(C)(C)C)(F)(F)F
InChI
InChI=1S/C7H14BF3NO2/c1-7(2,3)14-6(13)12-5-4-8(9,10)11/h4-5H2,1-3H3,(H,12,13)/q-1
InChIKey
WPMLVICGCJWWTJ-UHFFFAOYSA-N
Compound name
trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

198
Patents

212.10696 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11424 142.6
[M+Na]+ 235.09618 149.1
[M-H]- 211.09968 137.4
[M+NH4]+ 230.14078 160.7
[M+K]+ 251.07012 148.7
[M+H-H2O]+ 195.10422 138.2
[M+HCOO]- 257.10516 159.7
[M+CH3COO]- 271.12081 185.1
[M+Na-2H]- 233.08163 146.8
[M]+ 212.10641 137.9
[M]- 212.10751 137.9
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