CID 6335059

Nsc697118

Structural Information

Molecular Formula
C14H12BFN4O
SMILES
[B](C#N)[N+]1=CC=C(C=C1)C(=O)NNCC2=CC=C(C=C2)F
InChI
InChI=1S/C14H12BFN4O/c16-13-3-1-11(2-4-13)9-18-19-14(21)12-5-7-20(8-6-12)15-10-17/h1-8,18H,9H2,(H,19,21)/q+1
InChIKey
PIXVRMHBPNCIMT-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.10883 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.11611 166.8
[M+Na]+ 305.09805 174.7
[M-H]- 281.10155 169.2
[M+NH4]+ 300.14265 178.2
[M+K]+ 321.07199 164.4
[M+H-H2O]+ 265.10609 152.8
[M+HCOO]- 327.10703 185.5
[M+CH3COO]- 341.12268 208.0
[M+Na-2H]- 303.08350 173.0
[M]+ 282.10828 158.4
[M]- 282.10938 158.4
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.