CID 165713429

En300-37156093

Structural Information

Molecular Formula
C7H9BF3O3
SMILES
[B-](CC1(CC(=O)C1)C(=O)OC)(F)(F)F
InChI
InChI=1S/C7H9BF3O3/c1-14-6(13)7(2-5(12)3-7)4-8(9,10)11/h2-4H2,1H3/q-1
InChIKey
JICYVRNZXBILRU-UHFFFAOYSA-N
Compound name
trifluoro-[(1-methoxycarbonyl-3-oxocyclobutyl)methyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.05968 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.06696 137.9
[M+Na]+ 232.04890 144.7
[M-H]- 208.05240 136.4
[M+NH4]+ 227.09350 151.7
[M+K]+ 248.02284 146.8
[M+H-H2O]+ 192.05694 129.5
[M+HCOO]- 254.05788 154.3
[M+CH3COO]- 268.07353 184.5
[M+Na-2H]- 230.03435 141.3
[M]+ 209.05913 142.0
[M]- 209.06023 142.0
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.