CID 779059

Methyl 2-chloro-5-(morpholine-4-sulfonyl)benzoate

Structural Information

Molecular Formula
C12H14ClNO5S
SMILES
COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)Cl
InChI
InChI=1S/C12H14ClNO5S/c1-18-12(15)10-8-9(2-3-11(10)13)20(16,17)14-4-6-19-7-5-14/h2-3,8H,4-7H2,1H3
InChIKey
JYCBXPKSQXFWGP-UHFFFAOYSA-N
Compound name
methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.0281 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.03538 165.0
[M+Na]+ 342.01732 172.4
[M-H]- 318.02082 171.1
[M+NH4]+ 337.06192 177.8
[M+K]+ 357.99126 170.2
[M+H-H2O]+ 302.02536 158.6
[M+HCOO]- 364.02630 173.2
[M+CH3COO]- 378.04195 198.3
[M+Na-2H]- 340.00277 167.7
[M]+ 319.02755 169.2
[M]- 319.02865 169.2
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.