CID 3006716

Benzothiazole, 2-(2-furanyl)-2,3-dihydro-

Structural Information

Molecular Formula
C11H9NOS
SMILES
C1=CC=C2C(=C1)NC(S2)C3=CC=CO3
InChI
InChI=1S/C11H9NOS/c1-2-6-10-8(4-1)12-11(14-10)9-5-3-7-13-9/h1-7,11-12H
InChIKey
HRGDJJAIIYBMSY-UHFFFAOYSA-N
Compound name
2-(furan-2-yl)-2,3-dihydro-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

203.04048 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.04776 140.4
[M+Na]+ 226.02970 150.5
[M-H]- 202.03320 147.1
[M+NH4]+ 221.07430 161.8
[M+K]+ 242.00364 147.6
[M+H-H2O]+ 186.03774 135.6
[M+HCOO]- 248.03868 158.0
[M+CH3COO]- 262.05433 154.4
[M+Na-2H]- 224.01515 143.3
[M]+ 203.03993 141.5
[M]- 203.04103 141.5
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.