CID 16776877

5-(acetamidomethyl)-2-methoxybenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C10H12ClNO4S
SMILES
CC(=O)NCC1=CC(=C(C=C1)OC)S(=O)(=O)Cl
InChI
InChI=1S/C10H12ClNO4S/c1-7(13)12-6-8-3-4-9(16-2)10(5-8)17(11,14)15/h3-5H,6H2,1-2H3,(H,12,13)
InChIKey
GEQTWTGHANYCRD-UHFFFAOYSA-N
Compound name
5-(acetamidomethyl)-2-methoxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.01755 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.02483 155.4
[M+Na]+ 300.00677 164.4
[M-H]- 276.01027 159.8
[M+NH4]+ 295.05137 172.8
[M+K]+ 315.98071 160.5
[M+H-H2O]+ 260.01481 150.5
[M+HCOO]- 322.01575 169.6
[M+CH3COO]- 336.03140 195.3
[M+Na-2H]- 297.99222 158.5
[M]+ 277.01700 162.2
[M]- 277.01810 162.2
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.