CID 46318059

Schembl2525551

Structural Information

Molecular Formula
C5H11BF3
SMILES
[B-](CCCCC)(F)(F)F
InChI
InChI=1S/C5H11BF3/c1-2-3-4-5-6(7,8)9/h2-5H2,1H3/q-1
InChIKey
VWAVGHJLXBYGIW-UHFFFAOYSA-N
Compound name
trifluoro(pentyl)boranuide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

269
Patents

139.09059 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.09787 124.6
[M+Na]+ 162.07981 132.1
[M-H]- 138.08331 119.3
[M+NH4]+ 157.12441 145.9
[M+K]+ 178.05375 131.3
[M+H-H2O]+ 122.08785 120.6
[M+HCOO]- 184.08879 143.1
[M+CH3COO]- 198.10444 172.7
[M+Na-2H]- 160.06526 129.7
[M]+ 139.09004 119.3
[M]- 139.09114 119.3
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