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]+ 278.02483 156.0
[M+Na]+ 300.00677 164.2
[M-H]- 276.01027 160.1
[M+NH4]+ 295.05137 173.2
[M+K]+ 315.98071 160.3
[M+H-H2O]+ 260.01481 150.9
[M+HCOO]- 322.01575 170.3
[M+CH3COO]- 336.03140 194.1
[M+Na-2H]- 297.99222 159.8
[M]+ 277.01700 162.4
[M]- 277.01810 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