CID 134964806

1326317-69-4

Structural Information

Molecular Formula
C4H5BF3O2
SMILES
[B-](C1CC(=O)OC1)(F)(F)F
InChI
InChI=1S/C4H5BF3O2/c6-5(7,8)3-1-4(9)10-2-3/h3H,1-2H2/q-1
InChIKey
YTDHHSNQOYGACI-UHFFFAOYSA-N
Compound name
trifluoro-(5-oxooxolan-3-yl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.03346 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04074 121.6
[M+Na]+ 176.02268 129.9
[M-H]- 152.02618 120.4
[M+NH4]+ 171.06728 142.5
[M+K]+ 191.99662 130.1
[M+H-H2O]+ 136.03072 117.6
[M+HCOO]- 198.03166 139.7
[M+CH3COO]- 212.04731 169.3
[M+Na-2H]- 174.00813 126.6
[M]+ 153.03291 114.5
[M]- 153.03401 114.5
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.