CID 10863505

58097-69-1

Structural Information

Molecular Formula
C9H9BN6
SMILES
[B-](N1C=CC=N1)(N2C=CC=N2)N3C=CC=N3
InChI
InChI=1S/C9H9BN6/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16/h1-9H/q-1
InChIKey
WJVZFXFVBSUWLZ-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.09818 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.105456 138.4
[M+Na]+ 235.087398 147.3
[M-H]- 211.090904 140.5
[M+NH4]+ 230.132003 152.7
[M+K]+ 251.061338 145.2
[M+H-H2O]+ 195.095440 129.1
[M+HCOO]- 257.096381 159.4
[M+CH3COO]- 271.112031 150.4
[M+Na-2H]- 233.072846 141.5
[M]+ 212.09763142 136.9
[M]- 212.09872858 136.9
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.