CID 405935

Chembl2297146

Structural Information

Molecular Formula
C15H9ClFNO3S2
SMILES
CC1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)C(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C15H9ClFNO3S2/c1-8-6-13-12(7-11(8)16)22-15(18-23(13,20)21)14(19)9-2-4-10(17)5-3-9/h2-7H,1H3
InChIKey
WSPJHIYUYPWFLW-UHFFFAOYSA-N
Compound name
(6-chloro-7-methyl-1,1-dioxo-1lambda6,4,2-benzodithiazin-3-yl)-(4-fluorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.96964 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.97692 170.3
[M+Na]+ 391.95886 182.5
[M-H]- 367.96236 175.8
[M+NH4]+ 387.00346 186.1
[M+K]+ 407.93280 175.2
[M+H-H2O]+ 351.96690 163.8
[M+HCOO]- 413.96784 175.4
[M+CH3COO]- 427.98349 181.5
[M+Na-2H]- 389.94431 172.8
[M]+ 368.96909 176.0
[M]- 368.97019 176.0
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.