CID 91358365

Amisulbrom tp

Structural Information

Molecular Formula
C11H8BrFN4O2S
SMILES
CC1=C(C2=C(N1S(=O)(=O)C3=NC=NN3)C=C(C=C2)F)Br
InChI
InChI=1S/C11H8BrFN4O2S/c1-6-10(12)8-3-2-7(13)4-9(8)17(6)20(18,19)11-14-5-15-16-11/h2-5H,1H3,(H,14,15,16)
InChIKey
YLSKZSBQKHXTFP-UHFFFAOYSA-N
Compound name
3-bromo-6-fluoro-2-methyl-1-(1H-1,2,4-triazol-5-ylsulfonyl)indole
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

7
Patents

357.95355 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.96083 162.3
[M+Na]+ 380.94277 180.0
[M-H]- 356.94627 168.0
[M+NH4]+ 375.98737 179.5
[M+K]+ 396.91671 167.1
[M+H-H2O]+ 340.95081 162.5
[M+HCOO]- 402.95175 175.8
[M+CH3COO]- 416.96740 176.8
[M+Na-2H]- 378.92822 166.2
[M]+ 357.95300 185.1
[M]- 357.95410 185.1
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