CID 2339255

4-formyl-2-methoxyphenyl 2,5-dimethylbenzene-1-sulfonate

Structural Information

Molecular Formula
C16H16O5S
SMILES
CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)C=O)OC
InChI
InChI=1S/C16H16O5S/c1-11-4-5-12(2)16(8-11)22(18,19)21-14-7-6-13(10-17)9-15(14)20-3/h4-10H,1-3H3
InChIKey
UPAREUQKLUMKEL-UHFFFAOYSA-N
Compound name
(4-formyl-2-methoxyphenyl) 2,5-dimethylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.07184 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.07912 169.7
[M+Na]+ 343.06106 179.5
[M-H]- 319.06456 177.5
[M+NH4]+ 338.10566 184.9
[M+K]+ 359.03500 176.0
[M+H-H2O]+ 303.06910 162.4
[M+HCOO]- 365.07004 188.2
[M+CH3COO]- 379.08569 204.9
[M+Na-2H]- 341.04651 172.3
[M]+ 320.07129 177.8
[M]- 320.07239 177.8
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

No patent data available for this compound.