CID 49761682

2135480-21-4

Structural Information

Molecular Formula
C5H9BF3
SMILES
[B-](CC1CCC1)(F)(F)F
InChI
InChI=1S/C5H9BF3/c7-6(8,9)4-5-2-1-3-5/h5H,1-4H2/q-1
InChIKey
MBAFPUAAPMADLD-UHFFFAOYSA-N
Compound name
cyclobutylmethyl(trifluoro)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.07494 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.08222 120.2
[M+Na]+ 160.06416 126.3
[M-H]- 136.06766 118.3
[M+NH4]+ 155.10876 135.0
[M+K]+ 176.03810 128.2
[M+H-H2O]+ 120.07220 111.1
[M+HCOO]- 182.07314 137.4
[M+CH3COO]- 196.08879 174.2
[M+Na-2H]- 158.04961 125.3
[M]+ 137.07439 121.0
[M]- 137.07549 121.0
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.