CID 3049417

64691-99-2

Structural Information

Molecular Formula
C9H5Br2N5O2S
SMILES
C1=C(C=C(C(=C1Br)NN=C(C#N)C#N)Br)S(=O)(=O)N
InChI
InChI=1S/C9H5Br2N5O2S/c10-7-1-6(19(14,17)18)2-8(11)9(7)16-15-5(3-12)4-13/h1-2,16H,(H2,14,17,18)
InChIKey
MIXHIPHRSLDUEK-UHFFFAOYSA-N
Compound name
3,5-dibromo-4-[2-(dicyanomethylidene)hydrazinyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.85306 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.86034 153.0
[M+Na]+ 427.84228 163.5
[M-H]- 403.84578 155.2
[M+NH4]+ 422.88688 162.6
[M+K]+ 443.81622 150.7
[M+H-H2O]+ 387.85032 146.7
[M+HCOO]- 449.85126 164.7
[M+CH3COO]- 463.86691 238.4
[M+Na-2H]- 425.82773 155.3
[M]+ 404.85251 167.7
[M]- 404.85361 167.7
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.