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 151.1
[M+Na]+ 261.11184 156.6
[M-H]- 237.11534 147.8
[M+NH4]+ 256.15644 160.9
[M+K]+ 277.08578 158.6
[M+H-H2O]+ 221.11988 140.6
[M+HCOO]- 283.12082 163.6
[M+CH3COO]- 297.13647 191.4
[M+Na-2H]- 259.09729 153.0
[M]+ 238.12207 154.5
[M]- 238.12317 154.5
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.