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]+ 210.10335 142.0
[M+Na]+ 232.08529 147.4
[M-H]- 208.08879 139.9
[M+NH4]+ 227.12989 155.6
[M+K]+ 248.05923 149.3
[M+H-H2O]+ 192.09333 133.2
[M+HCOO]- 254.09427 157.6
[M+CH3COO]- 268.10992 185.4
[M+Na-2H]- 230.07074 145.2
[M]+ 209.09552 145.4
[M]- 209.09662 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.