CID 73012278

2097366-34-0

Structural Information

Molecular Formula
C9H9ClN2O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C\C(=O)Cl
InChI
InChI=1S/C9H9ClN2O3S/c1-7-2-4-8(5-3-7)16(14,15)12-11-6-9(10)13/h2-6,12H,1H3/b11-6-
InChIKey
HQXCAVDYGRHYMF-WDZFZDKYSA-N
Compound name
(2Z)-2-[(4-methylphenyl)sulfonylhydrazinylidene]acetyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

260.00223 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.00951 154.6
[M+Na]+ 282.99145 165.0
[M+NH4]+ 278.03605 161.4
[M+K]+ 298.96539 157.9
[M-H]- 258.99495 155.7
[M+Na-2H]- 280.97690 160.0
[M]+ 260.00168 156.9
[M]- 260.00278 156.9
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

patents stripe