CID 1771995

Methyl 4-{[(4-methylphenyl)sulfonyl]oxy}benzoate

Structural Information

Molecular Formula
C15H14O5S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)OC
InChI
InChI=1S/C15H14O5S/c1-11-3-9-14(10-4-11)21(17,18)20-13-7-5-12(6-8-13)15(16)19-2/h3-10H,1-2H3
InChIKey
GOWDSKTWVLFEKF-UHFFFAOYSA-N
Compound name
methyl 4-(4-methylphenyl)sulfonyloxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

306.05618 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.06346 166.6
[M+Na]+ 329.04540 179.5
[M+NH4]+ 324.09000 173.4
[M+K]+ 345.01934 172.3
[M-H]- 305.04890 168.9
[M+Na-2H]- 327.03085 174.0
[M]+ 306.05563 169.6
[M]- 306.05673 169.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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