CID 162345366

Ns00133168

Structural Information

Molecular Formula
C9H8Cl3N3O2S
SMILES
C1=C(C=C(C(=C1Cl)N)Cl)S(=O)(=O)N=CN/C=C\Cl
InChI
InChI=1S/C9H8Cl3N3O2S/c10-1-2-14-5-15-18(16,17)6-3-7(11)9(13)8(12)4-6/h1-5H,13H2,(H,14,15)/b2-1-
InChIKey
OJTCMCZRSSEXCM-UPHRSURJSA-N
Compound name
N'-(4-amino-3,5-dichlorophenyl)sulfonyl-N-[(Z)-2-chloroethenyl]methanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.94028 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.947556 168.8
[M+Na]+ 349.929498 178.4
[M-H]- 325.933004 172.5
[M+NH4]+ 344.974103 184.6
[M+K]+ 365.903438 171.1
[M+H-H2O]+ 309.937540 165.3
[M+HCOO]- 371.938481 176.2
[M+CH3COO]- 385.954131 208.2
[M+Na-2H]- 347.914946 170.4
[M]+ 326.93973142 172.5
[M]- 326.94082858 172.5
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.