CID 62997775

1279123-50-0

Structural Information

Molecular Formula
C5H9BF3O
SMILES
[B-](C1CCOCC1)(F)(F)F
InChI
InChI=1S/C5H9BF3O/c7-6(8,9)5-1-3-10-4-2-5/h5H,1-4H2/q-1
InChIKey
NHBZSSNPFMWDSO-UHFFFAOYSA-N
Compound name
trifluoro(oxan-4-yl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

153.06985 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.077126 124.5
[M+Na]+ 176.059068 130.2
[M-H]- 152.062574 122.5
[M+NH4]+ 171.103673 143.4
[M+K]+ 192.033008 130.5
[M+H-H2O]+ 136.067110 119.6
[M+HCOO]- 198.068051 139.8
[M+CH3COO]- 212.083701 170.5
[M+Na-2H]- 174.044516 130.5
[M]+ 153.06930142 114.6
[M]- 153.07039858 114.6
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

patents stripe