CID 514880

99902-90-6

Structural Information

Molecular Formula
C14H14O3S
SMILES
CC1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)C
InChI
InChI=1S/C14H14O3S/c1-11-3-5-12(6-4-11)17-13-7-9-14(10-8-13)18(2,15)16/h3-10H,1-2H3
InChIKey
UHJNOSYKOLRPJA-UHFFFAOYSA-N
Compound name
1-methyl-4-(4-methylsulfonylphenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

87
Patents

262.06638 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.07366 156.2
[M+Na]+ 285.05560 165.6
[M-H]- 261.05910 163.8
[M+NH4]+ 280.10020 173.6
[M+K]+ 301.02954 161.7
[M+H-H2O]+ 245.06364 149.4
[M+HCOO]- 307.06458 175.0
[M+CH3COO]- 321.08023 193.0
[M+Na-2H]- 283.04105 160.7
[M]+ 262.06583 160.7
[M]- 262.06693 160.7
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.