CID 71251330

1417421-99-8

Structural Information

Molecular Formula
C14H10BrFN2O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2N=CC(=C3)F)Br
InChI
InChI=1S/C14H10BrFN2O2S/c1-9-2-4-11(5-3-9)21(19,20)18-8-13(15)12-6-10(16)7-17-14(12)18/h2-8H,1H3
InChIKey
XAAFAPOSALSONG-UHFFFAOYSA-N
Compound name
3-bromo-5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

367.96304 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.97032 167.0
[M+Na]+ 390.95226 172.1
[M+NH4]+ 385.99686 170.9
[M+K]+ 406.92620 171.5
[M-H]- 366.95576 167.1
[M+Na-2H]- 388.93771 171.0
[M]+ 367.96249 167.1
[M]- 367.96359 167.1
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