CID 6334128

Pyrazabole

Structural Information

Molecular Formula
C6H6B2N4
SMILES
[B-]1N2C=CC=[N+]2[B-]N3[N+]1=CC=C3
InChI
InChI=1S/C6H6B2N4/c1-3-9-7-11-5-2-6-12(11)8-10(9)4-1/h1-6H
InChIKey
VEPOUCHBIJXQFI-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

567
Patents

156.07785 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08513 131.6
[M+Na]+ 179.06707 140.7
[M-H]- 155.07057 130.2
[M+NH4]+ 174.11167 150.2
[M+K]+ 195.04101 127.9
[M+H-H2O]+ 139.07511 132.6
[M+HCOO]- 201.07605 150.0
[M+CH3COO]- 215.09170 159.5
[M+Na-2H]- 177.05252 143.0
[M]+ 156.07730 124.4
[M]- 156.07840 124.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe