CID 166000743

N-[(2-chloro-5-methoxyphenyl)methyl]-n-methylsulfamoyl chloride

Structural Information

Molecular Formula
C9H11Cl2NO3S
SMILES
CN(CC1=C(C=CC(=C1)OC)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C9H11Cl2NO3S/c1-12(16(11,13)14)6-7-5-8(15-2)3-4-9(7)10/h3-5H,6H2,1-2H3
InChIKey
RNIYZXLQABINSK-UHFFFAOYSA-N
Compound name
N-[(2-chloro-5-methoxyphenyl)methyl]-N-methylsulfamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.98367 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.99095 154.0
[M+Na]+ 305.97289 164.0
[M-H]- 281.97639 159.6
[M+NH4]+ 301.01749 172.5
[M+K]+ 321.94683 160.0
[M+H-H2O]+ 265.98093 150.1
[M+HCOO]- 327.98187 164.6
[M+CH3COO]- 341.99752 198.7
[M+Na-2H]- 303.95834 157.2
[M]+ 282.98312 162.5
[M]- 282.98422 162.5
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.