CID 165706750

2742656-91-1

Structural Information

Molecular Formula
C9H7BrClNO2S
SMILES
CN1C=C(C2=C1C=CC=C2Br)S(=O)(=O)Cl
InChI
InChI=1S/C9H7BrClNO2S/c1-12-5-8(15(11,13)14)9-6(10)3-2-4-7(9)12/h2-5H,1H3
InChIKey
VESILZMZIMGDFX-UHFFFAOYSA-N
Compound name
4-bromo-1-methylindole-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.90695 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.91423 147.8
[M+Na]+ 329.89617 165.6
[M-H]- 305.89967 155.8
[M+NH4]+ 324.94077 170.6
[M+K]+ 345.87011 152.2
[M+H-H2O]+ 289.90421 150.1
[M+HCOO]- 351.90515 161.0
[M+CH3COO]- 365.92080 194.6
[M+Na-2H]- 327.88162 154.6
[M]+ 306.90640 173.9
[M]- 306.90750 173.9
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

No patent data available for this compound.