CID 45156700

30691-46-4

Structural Information

Molecular Formula
C10H9BrClNO3S
SMILES
CC(=O)N1CCC2=C1C(=CC(=C2)Br)S(=O)(=O)Cl
InChI
InChI=1S/C10H9BrClNO3S/c1-6(14)13-3-2-7-4-8(11)5-9(10(7)13)17(12,15)16/h4-5H,2-3H2,1H3
InChIKey
OCQLARLEGOFXFN-UHFFFAOYSA-N
Compound name
1-acetyl-5-bromo-2,3-dihydroindole-7-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

336.9175 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.92478 156.7
[M+Na]+ 359.90672 171.8
[M-H]- 335.91022 163.9
[M+NH4]+ 354.95132 177.9
[M+K]+ 375.88066 159.0
[M+H-H2O]+ 319.91476 159.0
[M+HCOO]- 381.91570 166.2
[M+CH3COO]- 395.93135 199.2
[M+Na-2H]- 357.89217 160.7
[M]+ 336.91695 180.5
[M]- 336.91805 180.5
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

patents stripe