CID 24847192

Brn 4547536

Structural Information

Molecular Formula
C15H8Cl3N3S
SMILES
C1C2=NN=C(N2C3=C(S1)C=C(C=C3)Cl)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C15H8Cl3N3S/c16-8-1-3-10(11(18)5-8)15-20-19-14-7-22-13-6-9(17)2-4-12(13)21(14)15/h1-6H,7H2
InChIKey
LIARFYGIWNXLCI-UHFFFAOYSA-N
Compound name
7-chloro-1-(2,4-dichlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.95044 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.95772 176.5
[M+Na]+ 389.93966 189.9
[M-H]- 365.94316 180.0
[M+NH4]+ 384.98426 191.3
[M+K]+ 405.91360 182.1
[M+H-H2O]+ 349.94770 169.1
[M+HCOO]- 411.94864 175.5
[M+CH3COO]- 425.96429 186.6
[M+Na-2H]- 387.92511 177.1
[M]+ 366.94989 181.8
[M]- 366.95099 181.8
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.