CID 405934

Nsc723722

Structural Information

Molecular Formula
C15H10ClNO3S2
SMILES
CC1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C15H10ClNO3S2/c1-9-7-13-12(8-11(9)16)21-15(17-22(13,19)20)14(18)10-5-3-2-4-6-10/h2-8H,1H3
InChIKey
GJFBTZJQJXSNKB-UHFFFAOYSA-N
Compound name
(6-chloro-7-methyl-1,1-dioxo-1lambda6,4,2-benzodithiazin-3-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

350.97906 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.98634 168.9
[M+Na]+ 373.96828 180.5
[M-H]- 349.97178 175.6
[M+NH4]+ 369.01288 185.4
[M+K]+ 389.94222 173.6
[M+H-H2O]+ 333.97632 163.3
[M+HCOO]- 395.97726 175.2
[M+CH3COO]- 409.99291 180.4
[M+Na-2H]- 371.95373 172.5
[M]+ 350.97851 175.1
[M]- 350.97961 175.1
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.