CID 42632476

1159919-79-5

Structural Information

Molecular Formula
C3H4BF3N
SMILES
[B-](CCC#N)(F)(F)F
InChI
InChI=1S/C3H4BF3N/c5-4(6,7)2-1-3-8/h1-2H2/q-1
InChIKey
DFGBIBMWBQKIRE-UHFFFAOYSA-N
Compound name
2-cyanoethyl(trifluoro)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

122.03889 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.04617 115.2
[M+Na]+ 145.02811 124.8
[M-H]- 121.03161 111.2
[M+NH4]+ 140.07271 134.8
[M+K]+ 161.00205 124.5
[M+H-H2O]+ 105.03615 104.8
[M+HCOO]- 167.03709 131.5
[M+CH3COO]- 181.05274 181.3
[M+Na-2H]- 143.01356 121.3
[M]+ 122.03834 104.9
[M]- 122.03944 104.9
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.