CID 63701728

Ns00114987

Structural Information

Molecular Formula
C3H7BF3
SMILES
[B-](CCC)(F)(F)F
InChI
InChI=1S/C3H7BF3/c1-2-3-4(5,6)7/h2-3H2,1H3/q-1
InChIKey
UHUCOXBNSICWFZ-UHFFFAOYSA-N
Compound name
trifluoro(propyl)boranuide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

111.05929 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.06657 114.9
[M+Na]+ 134.04851 123.3
[M-H]- 110.05201 110.0
[M+NH4]+ 129.09311 137.3
[M+K]+ 150.02245 123.0
[M+H-H2O]+ 94.056550 111.4
[M+HCOO]- 156.05749 134.2
[M+CH3COO]- 170.07314 166.5
[M+Na-2H]- 132.03396 121.2
[M]+ 111.05874 109.0
[M]- 111.05984 109.0
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.