CID 6328773

Nsc634832

Structural Information

Molecular Formula
C6H7BN4
SMILES
[B](N1C=CC=N1)[N+]2=CC=CN2
InChI
InChI=1S/C6H6BN4/c1-3-8-10(5-1)7-11-6-2-4-9-11/h1-6H/p+1
InChIKey
FDEMTFRANAAEIG-UHFFFAOYSA-O
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.07637 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.08365 125.7
[M+Na]+ 169.06559 135.7
[M-H]- 145.06909 127.0
[M+NH4]+ 164.11019 144.1
[M+K]+ 185.03953 127.8
[M+H-H2O]+ 129.07363 119.5
[M+HCOO]- 191.07457 148.4
[M+CH3COO]- 205.09022 163.0
[M+Na-2H]- 167.05104 135.4
[M]+ 146.07582 124.3
[M]- 146.07692 124.3
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.