CID 16218201

1290639-49-4

Structural Information

Molecular Formula
C6H13BF3
SMILES
[B-](CCC(C)(C)C)(F)(F)F
InChI
InChI=1S/C6H13BF3/c1-6(2,3)4-5-7(8,9)10/h4-5H2,1-3H3/q-1
InChIKey
VCACVZVTLITDRA-UHFFFAOYSA-N
Compound name
3,3-dimethylbutyl(trifluoro)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

153.10625 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.11353 128.9
[M+Na]+ 176.09547 136.7
[M-H]- 152.09897 124.0
[M+NH4]+ 171.14007 149.9
[M+K]+ 192.06941 136.0
[M+H-H2O]+ 136.10351 125.5
[M+HCOO]- 198.10445 145.7
[M+CH3COO]- 212.12010 175.4
[M+Na-2H]- 174.08092 134.4
[M]+ 153.10570 123.5
[M]- 153.10680 123.5
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.