CID 9794783

2,3-dihydro-1,3-benzothiazol-6-yl(phenyl)methanone

Structural Information

Molecular Formula
C14H11NOS
SMILES
C1NC2=C(S1)C=C(C=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C14H11NOS/c16-14(10-4-2-1-3-5-10)11-6-7-12-13(8-11)17-9-15-12/h1-8,15H,9H2
InChIKey
BSJCMEIUFYPGNL-UHFFFAOYSA-N
Compound name
2,3-dihydro-1,3-benzothiazol-6-yl(phenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.05614 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.06342 151.9
[M+Na]+ 264.04536 160.1
[M-H]- 240.04886 157.1
[M+NH4]+ 259.08996 170.7
[M+K]+ 280.01930 154.7
[M+H-H2O]+ 224.05340 145.5
[M+HCOO]- 286.05434 167.4
[M+CH3COO]- 300.06999 163.9
[M+Na-2H]- 262.03081 154.4
[M]+ 241.05559 151.0
[M]- 241.05669 151.0
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

No patent data available for this compound.