CID 85114

5,5'-methylenebis(1h-benzotriazole)

Structural Information

Molecular Formula
C13H10N6
SMILES
C1=CC2=NNN=C2C=C1CC3=CC4=NNN=C4C=C3
InChI
InChI=1S/C13H10N6/c1-3-10-12(16-18-14-10)6-8(1)5-9-2-4-11-13(7-9)17-19-15-11/h1-4,6-7H,5H2,(H,14,16,18)(H,15,17,19)
InChIKey
IWASLBFJTMJYHF-UHFFFAOYSA-N
Compound name
5-(2H-benzotriazol-5-ylmethyl)-2H-benzotriazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1726
Patents

250.0967 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.10398 154.2
[M+Na]+ 273.08592 167.0
[M-H]- 249.08942 154.3
[M+NH4]+ 268.13052 167.5
[M+K]+ 289.05986 159.2
[M+H-H2O]+ 233.09396 144.2
[M+HCOO]- 295.09490 171.8
[M+CH3COO]- 309.11055 165.4
[M+Na-2H]- 271.07137 161.7
[M]+ 250.09615 155.4
[M]- 250.09725 155.4
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