CID 387337

165617-59-4

Structural Information

Molecular Formula
C6Br2N4S2
SMILES
C12=C(C3=NSN=C3C(=C1N=S=N2)Br)Br
InChI
InChI=1S/C6Br2N4S2/c7-1-3-5(11-13-9-3)2(8)6-4(1)10-14-12-6
InChIKey
JIHWVOHZFVWBMK-UHFFFAOYSA-N
Compound name
2,8-dibromo-5lambda4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

349.79312 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.80040 134.8
[M+Na]+ 372.78234 131.6
[M+NH4]+ 367.82694 137.6
[M+K]+ 388.75628 138.2
[M-H]- 348.78584 135.2
[M+Na-2H]- 370.76779 136.9
[M]+ 349.79257 133.9
[M]- 349.79367 133.9
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