CID 514882

Phenol, 4-(4-(methylsulfonyl)phenoxy)-

Structural Information

Molecular Formula
C13H12O4S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)O
InChI
InChI=1S/C13H12O4S/c1-18(15,16)13-8-6-12(7-9-13)17-11-4-2-10(14)3-5-11/h2-9,14H,1H3
InChIKey
HZGRFEXXUNXOJK-UHFFFAOYSA-N
Compound name
4-(4-methylsulfonylphenoxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

264.04562 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.05290 155.5
[M+Na]+ 287.03484 164.6
[M-H]- 263.03834 161.7
[M+NH4]+ 282.07944 171.9
[M+K]+ 303.00878 160.6
[M+H-H2O]+ 247.04288 148.9
[M+HCOO]- 309.04382 173.3
[M+CH3COO]- 323.05947 189.6
[M+Na-2H]- 285.02029 160.2
[M]+ 264.04507 159.2
[M]- 264.04617 159.2
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