CID 11432845

848408-54-8

Structural Information

Molecular Formula
C6H4Br4N2O4S2
SMILES
C1=CC(=CC(=C1)S(=O)(=O)N(Br)Br)S(=O)(=O)N(Br)Br
InChI
InChI=1S/C6H4Br4N2O4S2/c7-11(8)17(13,14)5-2-1-3-6(4-5)18(15,16)12(9)10/h1-4H
InChIKey
QIUSYTGYTFWFKM-UHFFFAOYSA-N
Compound name
1-N,1-N,3-N,3-N-tetrabromobenzene-1,3-disulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

547.6346 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 548.64188 146.8
[M+Na]+ 570.62382 153.4
[M-H]- 546.62732 151.6
[M+NH4]+ 565.66842 155.8
[M+K]+ 586.59776 138.9
[M+H-H2O]+ 530.63186 162.9
[M+HCOO]- 592.63280 149.6
[M+CH3COO]- 606.64845 241.8
[M+Na-2H]- 568.60927 150.5
[M]+ 547.63405 185.5
[M]- 547.63515 185.5
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