CID 379953

Nsc665145

Structural Information

Molecular Formula
C15H9ClN2S
SMILES
C1=CC=C2C(=C1)C=CN2C3=NC4=C(S3)C=CC(=C4)Cl
InChI
InChI=1S/C15H9ClN2S/c16-11-5-6-14-12(9-11)17-15(19-14)18-8-7-10-3-1-2-4-13(10)18/h1-9H
InChIKey
IROFCXZRUHPDIZ-UHFFFAOYSA-N
Compound name
5-chloro-2-indol-1-yl-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.0175 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.02478 161.7
[M+Na]+ 307.00672 177.4
[M-H]- 283.01022 170.0
[M+NH4]+ 302.05132 183.0
[M+K]+ 322.98066 170.1
[M+H-H2O]+ 267.01476 155.7
[M+HCOO]- 329.01570 178.0
[M+CH3COO]- 343.03135 176.2
[M+Na-2H]- 304.99217 165.3
[M]+ 284.01695 170.4
[M]- 284.01805 170.4
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.