CID 327506

13174-96-4

Structural Information

Molecular Formula
C11H7N5O2
SMILES
C1=CC=C2C(=C1)N=NN2C3=NC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C11H7N5O2/c17-16(18)8-5-6-11(12-7-8)15-10-4-2-1-3-9(10)13-14-15/h1-7H
InChIKey
PPIGGSPZOUERAQ-UHFFFAOYSA-N
Compound name
1-(5-nitro-2-pyridinyl)benzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

241.05997 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.06725 147.9
[M+Na]+ 264.04919 157.9
[M-H]- 240.05269 151.6
[M+NH4]+ 259.09379 161.7
[M+K]+ 280.02313 149.5
[M+H-H2O]+ 224.05723 142.4
[M+HCOO]- 286.05817 170.8
[M+CH3COO]- 300.07382 185.5
[M+Na-2H]- 262.03464 159.5
[M]+ 241.05942 148.0
[M]- 241.06052 148.0
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