CID 3065175

Brn 4493227

Structural Information

Molecular Formula
C13H9ClN2O2S
SMILES
C1=CC=C(C=C1)N2C3=CC=CC=C3S(=O)(=O)N=C2Cl
InChI
InChI=1S/C13H9ClN2O2S/c14-13-15-19(17,18)12-9-5-4-8-11(12)16(13)10-6-2-1-3-7-10/h1-9H
InChIKey
CBFVLMZNHRXBBF-UHFFFAOYSA-N
Compound name
3-chloro-4-phenyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.00732 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.01460 158.0
[M+Na]+ 314.99654 170.5
[M-H]- 291.00004 163.8
[M+NH4]+ 310.04114 175.4
[M+K]+ 330.97048 164.2
[M+H-H2O]+ 275.00458 150.6
[M+HCOO]- 337.00552 169.7
[M+CH3COO]- 351.02117 170.6
[M+Na-2H]- 312.98199 164.8
[M]+ 292.00677 162.4
[M]- 292.00787 162.4
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

patents stripe