CID 4684568

1009549-57-8

Structural Information

Molecular Formula
C11H14ClNO4S
SMILES
CC(C)C(C(=O)O)NS(=O)(=O)C1=CC(=CC=C1)Cl
InChI
InChI=1S/C11H14ClNO4S/c1-7(2)10(11(14)15)13-18(16,17)9-5-3-4-8(12)6-9/h3-7,10,13H,1-2H3,(H,14,15)
InChIKey
JABGGVIJYNCUIL-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.0332 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.04048 162.1
[M+Na]+ 314.02242 170.9
[M+NH4]+ 309.06702 167.8
[M+K]+ 329.99636 166.0
[M-H]- 290.02592 161.1
[M+Na-2H]- 312.00787 165.2
[M]+ 291.03265 163.5
[M]- 291.03375 163.5
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.