CID 21073

Sah 1462

Structural Information

Molecular Formula
C8H10Cl2N2O2S
SMILES
CN(CC1=C(C=C(C=C1)Cl)Cl)S(=O)(=O)N
InChI
InChI=1S/C8H10Cl2N2O2S/c1-12(15(11,13)14)5-6-2-3-7(9)4-8(6)10/h2-4H,5H2,1H3,(H2,11,13,14)
InChIKey
ZGLVYSGVOOIUBG-UHFFFAOYSA-N
Compound name
2,4-dichloro-1-[[methyl(sulfamoyl)amino]methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.984 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.99128 152.5
[M+Na]+ 290.97322 162.0
[M-H]- 266.97672 157.3
[M+NH4]+ 286.01782 170.8
[M+K]+ 306.94716 157.2
[M+H-H2O]+ 250.98126 148.5
[M+HCOO]- 312.98220 163.4
[M+CH3COO]- 326.99785 198.0
[M+Na-2H]- 288.95867 155.1
[M]+ 267.98345 157.4
[M]- 267.98455 157.4
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