CID 132559580

1809638-85-4

Structural Information

Molecular Formula
C9H16BF3NO4
SMILES
[B-](CC(C(=O)OC)NC(=O)OC(C)(C)C)(F)(F)F
InChI
InChI=1S/C9H16BF3NO4/c1-9(2,3)18-8(16)14-6(7(15)17-4)5-10(11,12)13/h6H,5H2,1-4H3,(H,14,16)/q-1
InChIKey
BDWRRFXQBZRBEX-UHFFFAOYSA-N
Compound name
trifluoro-[3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.11246 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.11974 154.6
[M+Na]+ 293.10168 160.1
[M-H]- 269.10518 149.3
[M+NH4]+ 288.14628 170.2
[M+K]+ 309.07562 160.6
[M+H-H2O]+ 253.10972 149.9
[M+HCOO]- 315.11066 169.9
[M+CH3COO]- 329.12631 195.1
[M+Na-2H]- 291.08713 156.1
[M]+ 270.11191 151.5
[M]- 270.11301 151.5
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

No patent data available for this compound.