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]+ 242.063416 151.9
[M+Na]+ 264.045358 160.1
[M-H]- 240.048864 157.1
[M+NH4]+ 259.089963 170.7
[M+K]+ 280.019298 154.7
[M+H-H2O]+ 224.053400 145.5
[M+HCOO]- 286.054341 167.4
[M+CH3COO]- 300.069991 163.9
[M+Na-2H]- 262.030806 154.4
[M]+ 241.05559142 151.0
[M]- 241.05668858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.