CID 18071746

2-(morpholine-4-carbonyl)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C11H12ClNO4S
SMILES
C1COCCN1C(=O)C2=CC=CC=C2S(=O)(=O)Cl
InChI
InChI=1S/C11H12ClNO4S/c12-18(15,16)10-4-2-1-3-9(10)11(14)13-5-7-17-8-6-13/h1-4H,5-8H2
InChIKey
SGSVXCYRAPMQTB-UHFFFAOYSA-N
Compound name
2-(morpholine-4-carbonyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

289.01755 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.02483 158.2
[M+Na]+ 312.00677 165.5
[M-H]- 288.01027 164.2
[M+NH4]+ 307.05137 172.1
[M+K]+ 327.98071 162.8
[M+H-H2O]+ 272.01481 152.0
[M+HCOO]- 334.01575 166.6
[M+CH3COO]- 348.03140 191.9
[M+Na-2H]- 309.99222 161.8
[M]+ 289.01700 160.2
[M]- 289.01810 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

patents stripe