CID 83169205

2409048-01-5

Structural Information

Molecular Formula
C6H13BF3
SMILES
[B-](CCCC(C)C)(F)(F)F
InChI
InChI=1S/C6H13BF3/c1-6(2)4-3-5-7(8,9)10/h6H,3-5H2,1-2H3/q-1
InChIKey
PFEHGMQZMHSFEY-UHFFFAOYSA-N
Compound name
trifluoro(4-methylpentyl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.10625 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.113526 129.1
[M+Na]+ 176.095468 136.0
[M-H]- 152.098974 123.7
[M+NH4]+ 171.140073 149.8
[M+K]+ 192.069408 135.3
[M+H-H2O]+ 136.103510 125.0
[M+HCOO]- 198.104451 146.4
[M+CH3COO]- 212.120101 176.4
[M+Na-2H]- 174.080916 132.5
[M]+ 153.10570142 123.6
[M]- 153.10679858 123.6
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

No patent data available for this compound.