CID 74787600

2254447-10-2

Structural Information

Molecular Formula
C9H16BF3NO2
SMILES
[B-](CC1CN(C1)C(=O)OC(C)(C)C)(F)(F)F
InChI
InChI=1S/C9H16BF3NO2/c1-9(2,3)16-8(15)14-5-7(6-14)4-10(11,12)13/h7H,4-6H2,1-3H3/q-1
InChIKey
NYMGCYHAJVXEMN-UHFFFAOYSA-N
Compound name
trifluoro-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.12262 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.12990 161.3
[M+Na]+ 261.11184 162.8
[M+NH4]+ 256.15644 160.9
[M+K]+ 277.08578 162.2
[M-H]- 237.11534 152.5
[M+Na-2H]- 259.09729 158.2
[M]+ 238.12207 157.2
[M]- 238.12317 157.2
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.