CID 3773875

4-formyl-2-methoxyphenyl 2-methyl-5-nitrobenzene-1-sulfonate

Structural Information

Molecular Formula
C15H13NO7S
SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=C(C=C(C=C2)C=O)OC
InChI
InChI=1S/C15H13NO7S/c1-10-3-5-12(16(18)19)8-15(10)24(20,21)23-13-6-4-11(9-17)7-14(13)22-2/h3-9H,1-2H3
InChIKey
FYMJPZKLZMQIDG-UHFFFAOYSA-N
Compound name
(4-formyl-2-methoxyphenyl) 2-methyl-5-nitrobenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.04126 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.04854 173.4
[M+Na]+ 374.03048 186.5
[M+NH4]+ 369.07508 178.8
[M+K]+ 390.00442 182.6
[M-H]- 350.03398 176.2
[M+Na-2H]- 372.01593 179.6
[M]+ 351.04071 176.3
[M]- 351.04181 176.3
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.