CID 3138191

2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonyl chloride

Structural Information

Molecular Formula
C11H6ClNO3S
SMILES
C1=CC2=C(C=CC3=C2C(=C1)C(=O)N3)S(=O)(=O)Cl
InChI
InChI=1S/C11H6ClNO3S/c12-17(15,16)9-5-4-8-10-6(9)2-1-3-7(10)11(14)13-8/h1-5H,(H,13,14)
InChIKey
HBGOGAFJKXIXKJ-UHFFFAOYSA-N
Compound name
2-oxo-1H-benzo[cd]indole-6-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

266.97568 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.98296 153.5
[M+Na]+ 289.96490 167.0
[M+NH4]+ 285.00950 162.2
[M+K]+ 305.93884 160.3
[M-H]- 265.96840 153.7
[M+Na-2H]- 287.95035 157.3
[M]+ 266.97513 156.2
[M]- 266.97623 156.2
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