CID 23023072

4-(4-methanesulfonylphenoxy)aniline

Structural Information

Molecular Formula
C13H13NO3S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)N
InChI
InChI=1S/C13H13NO3S/c1-18(15,16)13-8-6-12(7-9-13)17-11-4-2-10(14)3-5-11/h2-9H,14H2,1H3
InChIKey
YLPRHFLWIYEAGT-UHFFFAOYSA-N
Compound name
4-(4-methylsulfonylphenoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

263.0616 Da
Monoisotopic Mass

1.4
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

No literature data available for this compound.

Patent stripe

patents stripe