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]+ 154.11353 129.1
[M+Na]+ 176.09547 136.0
[M-H]- 152.09897 123.7
[M+NH4]+ 171.14007 149.8
[M+K]+ 192.06941 135.3
[M+H-H2O]+ 136.10351 125.0
[M+HCOO]- 198.10445 146.4
[M+CH3COO]- 212.12010 176.4
[M+Na-2H]- 174.08092 132.5
[M]+ 153.10570 123.6
[M]- 153.10680 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.