CID 6334922

Nsc698276

Structural Information

Molecular Formula
C15H12BF3N4O
SMILES
[B](C#N)[N+]1=CC=C(C=C1)C(=O)NNCC2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C15H12BF3N4O/c17-15(18,19)13-3-1-2-11(8-13)9-21-22-14(24)12-4-6-23(7-5-12)16-10-20/h1-8,21H,9H2,(H,22,24)/q+1
InChIKey
ZQBOPEOTMMNPLT-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.10562 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.11290 175.8
[M+Na]+ 355.09484 183.3
[M-H]- 331.09834 175.6
[M+NH4]+ 350.13944 185.2
[M+K]+ 371.06878 172.9
[M+H-H2O]+ 315.10288 160.3
[M+HCOO]- 377.10382 190.8
[M+CH3COO]- 391.11947 215.2
[M+Na-2H]- 353.08029 181.1
[M]+ 332.10507 164.9
[M]- 332.10617 164.9
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.