CID 9588867

Methyl 3-((((4-chlorophenyl)methylene)hydrazino)sulfonyl)-2-thiophenecarboxylate

Structural Information

Molecular Formula
C13H11ClN2O4S2
SMILES
COC(=O)C1=C(C=CS1)S(=O)(=O)N/N=C/C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H11ClN2O4S2/c1-20-13(17)12-11(6-7-21-12)22(18,19)16-15-8-9-2-4-10(14)5-3-9/h2-8,16H,1H3/b15-8+
InChIKey
FFIKFZFQTOEGFN-OVCLIPMQSA-N
Compound name
methyl 3-[[(E)-(4-chlorophenyl)methylideneamino]sulfamoyl]thiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.98486 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.99214 180.3
[M+Na]+ 380.97408 189.0
[M-H]- 356.97758 188.8
[M+NH4]+ 376.01868 196.3
[M+K]+ 396.94802 183.2
[M+H-H2O]+ 340.98212 174.3
[M+HCOO]- 402.98306 192.7
[M+CH3COO]- 416.99871 210.2
[M+Na-2H]- 378.95953 181.8
[M]+ 357.98431 187.5
[M]- 357.98541 187.5
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.