CID 2776215

3-bromo-(1-phenylsulfonyl)indole

Structural Information

Molecular Formula
C14H10BrNO2S
SMILES
C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)Br
InChI
InChI=1S/C14H10BrNO2S/c15-13-10-16(14-9-5-4-8-12(13)14)19(17,18)11-6-2-1-3-7-11/h1-10H
InChIKey
MXPFKHHDXIJNDX-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)-3-bromoindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

334.96155 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.96883 160.5
[M+Na]+ 357.95077 175.7
[M-H]- 333.95427 170.9
[M+NH4]+ 352.99537 180.7
[M+K]+ 373.92471 163.3
[M+H-H2O]+ 317.95881 161.2
[M+HCOO]- 379.95975 178.1
[M+CH3COO]- 393.97540 176.0
[M+Na-2H]- 355.93622 167.9
[M]+ 334.96100 183.9
[M]- 334.96210 183.9
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

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