CID 70881551

1-(benzenesulfonyl)-5-bromo-1h-indazole

Structural Information

Molecular Formula
C13H9BrN2O2S
SMILES
C1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)Br)C=N2
InChI
InChI=1S/C13H9BrN2O2S/c14-11-6-7-13-10(8-11)9-15-16(13)19(17,18)12-4-2-1-3-5-12/h1-9H
InChIKey
BGHNXFAAAHVVAJ-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)-5-bromoindazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

335.95682 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.96410 158.5
[M+Na]+ 358.94604 174.2
[M-H]- 334.94954 167.8
[M+NH4]+ 353.99064 177.4
[M+K]+ 374.91998 161.8
[M+H-H2O]+ 318.95408 158.9
[M+HCOO]- 380.95502 175.3
[M+CH3COO]- 394.97067 173.9
[M+Na-2H]- 356.93149 166.5
[M]+ 335.95627 182.1
[M]- 335.95737 182.1
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

patents stripe