CID 146082561

2416056-22-7

Structural Information

Molecular Formula
C9H14BF3NO2
SMILES
[B-](C=C1CN(C1)C(=O)OC(C)(C)C)(F)(F)F
InChI
InChI=1S/C9H14BF3NO2/c1-9(2,3)16-8(15)14-5-7(6-14)4-10(11,12)13/h4H,5-6H2,1-3H3/q-1
InChIKey
SLWLZYKNZJBROA-UHFFFAOYSA-N
Compound name
trifluoro-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-ylidene]methyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.10696 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.11424 150.0
[M+Na]+ 259.09618 155.9
[M-H]- 235.09968 146.8
[M+NH4]+ 254.14078 159.9
[M+K]+ 275.07012 157.3
[M+H-H2O]+ 219.10422 139.6
[M+HCOO]- 281.10516 162.7
[M+CH3COO]- 295.12081 189.8
[M+Na-2H]- 257.08163 151.9
[M]+ 236.10641 152.7
[M]- 236.10751 152.7
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.