CID 73012278

(2e)-2-[(4-methylbenzenesulfonamido)imino]acetyl chloride

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

0
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 152.4
[M+Na]+ 282.99145 161.0
[M-H]- 258.99495 157.9
[M+NH4]+ 278.03605 170.5
[M+K]+ 298.96539 156.8
[M+H-H2O]+ 242.99949 146.9
[M+HCOO]- 305.00043 169.3
[M+CH3COO]- 319.01608 195.6
[M+Na-2H]- 280.97690 157.2
[M]+ 260.00168 157.3
[M]- 260.00278 157.3
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