CID 162345390

Ns00133167

Structural Information

Molecular Formula
C9H8Cl3N3O2S
SMILES
C=C(NC=NS(=O)(=O)C1=CC(=C(C(=C1)Cl)N)Cl)Cl
InChI
InChI=1S/C9H8Cl3N3O2S/c1-5(10)14-4-15-18(16,17)6-2-7(11)9(13)8(12)3-6/h2-4H,1,13H2,(H,14,15)
InChIKey
OYGDXKIFOLNBQP-UHFFFAOYSA-N
Compound name
N'-(4-amino-3,5-dichlorophenyl)sulfonyl-N-(1-chloroethenyl)methanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.94028 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.947556 167.8
[M+Na]+ 349.929498 177.0
[M-H]- 325.933004 171.6
[M+NH4]+ 344.974103 183.4
[M+K]+ 365.903438 170.2
[M+H-H2O]+ 309.937540 164.4
[M+HCOO]- 371.938481 174.2
[M+CH3COO]- 385.954131 209.7
[M+Na-2H]- 347.914946 168.5
[M]+ 326.93973142 171.1
[M]- 326.94082858 171.1
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.