CID 71757664

2-(carbamoylmethoxy)-5-chlorobenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H7Cl2NO4S
SMILES
C1=CC(=C(C=C1Cl)S(=O)(=O)Cl)OCC(=O)N
InChI
InChI=1S/C8H7Cl2NO4S/c9-5-1-2-6(15-4-8(11)12)7(3-5)16(10,13)14/h1-3H,4H2,(H2,11,12)
InChIKey
BHXKVAMXMYVZBM-UHFFFAOYSA-N
Compound name
2-(2-amino-2-oxoethoxy)-5-chlorobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.9473 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.95458 151.6
[M+Na]+ 305.93652 161.6
[M-H]- 281.94002 155.4
[M+NH4]+ 300.98112 168.9
[M+K]+ 321.91046 156.6
[M+H-H2O]+ 265.94456 148.3
[M+HCOO]- 327.94550 161.0
[M+CH3COO]- 341.96115 194.0
[M+Na-2H]- 303.92197 154.1
[M]+ 282.94675 157.7
[M]- 282.94785 157.7
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.