CID 11389580

Schembl3151330

Structural Information

Molecular Formula
C4H9BF3
SMILES
[B-](CCCC)(F)(F)F
InChI
InChI=1S/C4H9BF3/c1-2-3-4-5(6,7)8/h2-4H2,1H3/q-1
InChIKey
UWOFMFGSQUDOTD-UHFFFAOYSA-N
Compound name
butyl(trifluoro)boranuide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

26
Patents

125.07494 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.08222 119.8
[M+Na]+ 148.06416 127.7
[M-H]- 124.06766 114.7
[M+NH4]+ 143.10876 141.6
[M+K]+ 164.03810 127.2
[M+H-H2O]+ 108.07220 116.0
[M+HCOO]- 170.07314 138.7
[M+CH3COO]- 184.08879 169.6
[M+Na-2H]- 146.04961 125.4
[M]+ 125.07439 114.2
[M]- 125.07549 114.2
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