CID 6338310

Nsc149995

Structural Information

Molecular Formula
C10H8BN2
SMILES
[B-]1[N+]2=CC=CC=C2C3=CC=CC=[N+]31
InChI
InChI=1S/C10H8BN2/c1-3-7-12-9(5-1)10-6-2-4-8-13(10)11-12/h1-8H/q+1
InChIKey
LAQCNZHXXNHICJ-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.07805 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.08533 134.7
[M+Na]+ 190.06727 143.7
[M-H]- 166.07077 136.7
[M+NH4]+ 185.11187 154.8
[M+K]+ 206.04121 129.2
[M+H-H2O]+ 150.07531 134.7
[M+HCOO]- 212.07625 154.9
[M+CH3COO]- 226.09190 164.1
[M+Na-2H]- 188.05272 147.9
[M]+ 167.07750 129.9
[M]- 167.07860 129.9
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.