CID 165898479

En300-33037372

Structural Information

Molecular Formula
C8H13BF3O2
SMILES
[B-](CC1(CCC1)C(=O)OCC)(F)(F)F
InChI
InChI=1S/C8H13BF3O2/c1-2-14-7(13)8(4-3-5-8)6-9(10,11)12/h2-6H2,1H3/q-1
InChIKey
RRYUXKNHVWWDSJ-UHFFFAOYSA-N
Compound name
(1-ethoxycarbonylcyclobutyl)methyl-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.09607 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.103346 142.0
[M+Na]+ 232.085288 147.4
[M-H]- 208.088794 139.9
[M+NH4]+ 227.129893 155.6
[M+K]+ 248.059228 149.3
[M+H-H2O]+ 192.093330 133.2
[M+HCOO]- 254.094271 157.6
[M+CH3COO]- 268.109921 185.4
[M+Na-2H]- 230.070736 145.2
[M]+ 209.09552142 145.4
[M]- 209.09661858 145.4
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.