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

118
Patents

263.0616 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.068876 156.5
[M+Na]+ 286.050818 165.3
[M-H]- 262.054324 163.4
[M+NH4]+ 281.095423 173.1
[M+K]+ 302.024758 161.1
[M+H-H2O]+ 246.058860 149.4
[M+HCOO]- 308.059801 175.8
[M+CH3COO]- 322.075451 194.3
[M+Na-2H]- 284.036266 161.0
[M]+ 263.06105142 158.8
[M]- 263.06214858 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