CID 3070110

Butanoic acid, 4-(((5-chloro-2-methoxy-4-nitrophenyl)sulfonyl)amino)-

Structural Information

Molecular Formula
C11H13ClN2O7S
SMILES
COC1=C(C=C(C(=C1)[N+](=O)[O-])Cl)S(=O)(=O)NCCCC(=O)O
InChI
InChI=1S/C11H13ClN2O7S/c1-21-9-6-8(14(17)18)7(12)5-10(9)22(19,20)13-4-2-3-11(15)16/h5-6,13H,2-4H2,1H3,(H,15,16)
InChIKey
ISUOIEGTMWMFIW-UHFFFAOYSA-N
Compound name
4-[(5-chloro-2-methoxy-4-nitrophenyl)sulfonylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.0132 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.02048 170.2
[M+Na]+ 375.00242 179.3
[M+NH4]+ 370.04702 174.2
[M+K]+ 390.97636 177.4
[M-H]- 351.00592 169.6
[M+Na-2H]- 372.98787 172.3
[M]+ 352.01265 171.5
[M]- 352.01375 171.5
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.