CID 18072684

881005-36-3

Structural Information

Molecular Formula
C11H12ClNO4S
SMILES
C1COCCN1C(=O)C2=CC=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C11H12ClNO4S/c12-18(15,16)10-3-1-9(2-4-10)11(14)13-5-7-17-8-6-13/h1-4H,5-8H2
InChIKey
ALPHHUKKEOVCOP-UHFFFAOYSA-N
Compound name
4-(morpholine-4-carbonyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.01755 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.024826 158.2
[M+Na]+ 312.006768 165.5
[M-H]- 288.010274 164.2
[M+NH4]+ 307.051373 172.1
[M+K]+ 327.980708 162.8
[M+H-H2O]+ 272.014810 152.0
[M+HCOO]- 334.015751 166.6
[M+CH3COO]- 348.031401 191.9
[M+Na-2H]- 309.992216 161.8
[M]+ 289.01700142 160.2
[M]- 289.01809858 160.2
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.