CID 11401180

561328-69-6

Structural Information

Molecular Formula
C5H4BF3N
SMILES
[B-](C1=CN=CC=C1)(F)(F)F
InChI
InChI=1S/C5H4BF3N/c7-6(8,9)5-2-1-3-10-4-5/h1-4H/q-1
InChIKey
YTCGULDAZCJNGW-UHFFFAOYSA-N
Compound name
trifluoro(pyridin-3-yl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

146.0389 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.04618 125.7
[M+Na]+ 169.02812 135.6
[M+NH4]+ 164.07272 131.8
[M+K]+ 185.00206 131.2
[M-H]- 145.03162 122.4
[M+Na-2H]- 167.01357 131.0
[M]+ 146.03835 125.6
[M]- 146.03945 125.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.