CID 165752639

2758005-48-8

Structural Information

Molecular Formula
C7H6BrClN2O2S
SMILES
C1CN(C2=C1C=C(C=N2)Br)S(=O)(=O)Cl
InChI
InChI=1S/C7H6BrClN2O2S/c8-6-3-5-1-2-11(14(9,12)13)7(5)10-4-6/h3-4H,1-2H2
InChIKey
ORLJHESPRYFWLM-UHFFFAOYSA-N
Compound name
5-bromo-2,3-dihydropyrrolo[2,3-b]pyridine-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.9022 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.90948 144.6
[M+Na]+ 318.89142 160.5
[M-H]- 294.89492 150.5
[M+NH4]+ 313.93602 166.1
[M+K]+ 334.86536 148.0
[M+H-H2O]+ 278.89946 146.5
[M+HCOO]- 340.90040 154.6
[M+CH3COO]- 354.91605 191.0
[M+Na-2H]- 316.87687 151.3
[M]+ 295.90165 167.5
[M]- 295.90275 167.5
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.