CID 473055

3-benzyl-6-(3-fluorobenzoyl)-1,3-benzothiazol-2-one

Structural Information

Molecular Formula
C21H14FNO2S
SMILES
C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(=O)C4=CC(=CC=C4)F)SC2=O
InChI
InChI=1S/C21H14FNO2S/c22-17-8-4-7-15(11-17)20(24)16-9-10-18-19(12-16)26-21(25)23(18)13-14-5-2-1-3-6-14/h1-12H,13H2
InChIKey
YUKBVRLEWFIIQZ-UHFFFAOYSA-N
Compound name
3-benzyl-6-(3-fluorobenzoyl)-1,3-benzothiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

363.07294 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.08022 183.7
[M+Na]+ 386.06216 195.2
[M-H]- 362.06566 193.1
[M+NH4]+ 381.10676 198.3
[M+K]+ 402.03610 187.8
[M+H-H2O]+ 346.07020 174.4
[M+HCOO]- 408.07114 201.5
[M+CH3COO]- 422.08679 195.3
[M+Na-2H]- 384.04761 184.4
[M]+ 363.07239 188.0
[M]- 363.07349 188.0
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.