CID 9839129

88544-01-8

Structural Information

Molecular Formula
C13H8N6O3
SMILES
C1=CC=C2C(=C1)N=NN2OC(=O)ON3C4=CC=CC=C4N=N3
InChI
InChI=1S/C13H8N6O3/c20-13(21-18-11-7-3-1-5-9(11)14-16-18)22-19-12-8-4-2-6-10(12)15-17-19/h1-8H
InChIKey
PPQNDCSTOHZQEH-UHFFFAOYSA-N
Compound name
bis(benzotriazol-1-yl) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4149
Patents

296.0658 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.07308 162.0
[M+Na]+ 319.05502 174.7
[M-H]- 295.05852 164.9
[M+NH4]+ 314.09962 174.3
[M+K]+ 335.02896 170.4
[M+H-H2O]+ 279.06306 151.4
[M+HCOO]- 341.06400 182.0
[M+CH3COO]- 355.07965 173.8
[M+Na-2H]- 317.04047 169.3
[M]+ 296.06525 168.9
[M]- 296.06635 168.9
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.