CID 6334925

Nsc697114

Structural Information

Molecular Formula
C15H14BFN4O
SMILES
[B](C#N)[N+]1=CC=C(C=C1)C(=O)NNC(C)C2=CC(=CC=C2)F
InChI
InChI=1S/C15H14BFN4O/c1-11(13-3-2-4-14(17)9-13)19-20-15(22)12-5-7-21(8-6-12)16-10-18/h2-9,11,19H,1H3,(H,20,22)/q+1
InChIKey
BBALAVZFSZGZID-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.12448 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13176 172.1
[M+Na]+ 319.11370 179.2
[M-H]- 295.11720 174.4
[M+NH4]+ 314.15830 182.9
[M+K]+ 335.08764 169.2
[M+H-H2O]+ 279.12174 158.0
[M+HCOO]- 341.12268 189.5
[M+CH3COO]- 355.13833 211.4
[M+Na-2H]- 317.09915 176.6
[M]+ 296.12393 163.3
[M]- 296.12503 163.3
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.