CID 18072428

3-[(2-methoxyethyl)carbamoyl]benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C10H12ClNO4S
SMILES
COCCNC(=O)C1=CC(=CC=C1)S(=O)(=O)Cl
InChI
InChI=1S/C10H12ClNO4S/c1-16-6-5-12-10(13)8-3-2-4-9(7-8)17(11,14)15/h2-4,7H,5-6H2,1H3,(H,12,13)
InChIKey
AJTHTMQVVZOTJZ-UHFFFAOYSA-N
Compound name
3-(2-methoxyethylcarbamoyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

277.01755 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.024826 156.0
[M+Na]+ 300.006768 164.2
[M-H]- 276.010274 160.1
[M+NH4]+ 295.051373 173.2
[M+K]+ 315.980708 160.3
[M+H-H2O]+ 260.014810 150.9
[M+HCOO]- 322.015751 170.3
[M+CH3COO]- 336.031401 194.1
[M+Na-2H]- 297.992216 159.8
[M]+ 277.01700142 162.4
[M]- 277.01809858 162.4
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