CID 3849436

1-(2-pyridinylsulfonyl)-1h-benzotriazole

Structural Information

Molecular Formula
C11H8N4O2S
SMILES
C1=CC=C2C(=C1)N=NN2S(=O)(=O)C3=CC=CC=N3
InChI
InChI=1S/C11H8N4O2S/c16-18(17,11-7-3-4-8-12-11)15-10-6-2-1-5-9(10)13-14-15/h1-8H
InChIKey
OZUVNTAONYFQTG-UHFFFAOYSA-N
Compound name
1-pyridin-2-ylsulfonylbenzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

260.0368 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.04408 155.9
[M+Na]+ 283.02602 168.8
[M-H]- 259.02952 159.8
[M+NH4]+ 278.07062 170.7
[M+K]+ 298.99996 163.6
[M+H-H2O]+ 243.03406 147.7
[M+HCOO]- 305.03500 172.3
[M+CH3COO]- 319.05065 168.5
[M+Na-2H]- 281.01147 163.4
[M]+ 260.03625 160.5
[M]- 260.03735 160.5
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