CID 6270225

Nsc681085

Structural Information

Molecular Formula
C8H9BF2N4O
SMILES
B(O/C(=N\N=C(\C)/C1=CC=CC=N1)/N)(F)F
InChI
InChI=1S/C8H9BF2N4O/c1-6(7-4-2-3-5-13-7)14-15-8(12)16-9(10)11/h2-5H,1H3,(H2,12,15)/b14-6-
InChIKey
XWFZEGCCPDCIGD-NSIKDUERSA-N
Compound name
difluoroboranyl N'-[(Z)-1-pyridin-2-ylethylideneamino]carbamimidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.08374 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.09102 145.5
[M+Na]+ 249.07296 151.3
[M-H]- 225.07646 147.2
[M+NH4]+ 244.11756 162.0
[M+K]+ 265.04690 150.6
[M+H-H2O]+ 209.08100 135.3
[M+HCOO]- 271.08194 169.8
[M+CH3COO]- 285.09759 199.0
[M+Na-2H]- 247.05841 150.0
[M]+ 226.08319 142.0
[M]- 226.08429 142.0
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.