CID 14896996

133546-47-1

Structural Information

Molecular Formula
C10H4N4S2
SMILES
C1=CC2=NSN=C2C3=C1C4=NSN=C4C=C3
InChI
InChI=1S/C10H4N4S2/c1-3-7-10(14-15-11-7)6-2-4-8-9(5(1)6)13-16-12-8/h1-4H
InChIKey
VHHDKHOBNKXVNU-UHFFFAOYSA-N
Compound name
[2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

92
Patents

243.98773 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.99501 144.3
[M+Na]+ 266.97695 161.9
[M-H]- 242.98045 148.2
[M+NH4]+ 262.02155 165.5
[M+K]+ 282.95089 156.4
[M+H-H2O]+ 226.98499 139.8
[M+HCOO]- 288.98593 158.3
[M+CH3COO]- 303.00158 159.0
[M+Na-2H]- 264.96240 150.5
[M]+ 243.98718 153.0
[M]- 243.98828 153.0
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

patents stripe