CID 516667

4-(4-methoxyphenyl)sulfonylaniline

Structural Information

Molecular Formula
C13H13NO3S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C13H13NO3S/c1-17-11-4-8-13(9-5-11)18(15,16)12-6-2-10(14)3-7-12/h2-9H,14H2,1H3
InChIKey
YYLYFXLKPZKSKS-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)sulfonylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

24
Patents

263.0616 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.06888 156.5
[M+Na]+ 286.05082 165.3
[M-H]- 262.05432 163.4
[M+NH4]+ 281.09542 173.1
[M+K]+ 302.02476 161.1
[M+H-H2O]+ 246.05886 149.4
[M+HCOO]- 308.05980 175.8
[M+CH3COO]- 322.07545 194.3
[M+Na-2H]- 284.03627 161.0
[M]+ 263.06105 158.8
[M]- 263.06215 158.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe