CID 6366507

94232-04-9

Structural Information

Molecular Formula
C13H12N2O6S
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)[N+](=O)[O-])N
InChI
InChI=1S/C13H12N2O6S/c1-20-13-7-6-11(8-12(13)14)22(18,19)21-10-4-2-9(3-5-10)15(16)17/h2-8H,14H2,1H3
InChIKey
MKBHZWMFTFVMOV-UHFFFAOYSA-N
Compound name
(4-nitrophenyl) 3-amino-4-methoxybenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

324.0416 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.04888 165.3
[M+Na]+ 347.03082 177.4
[M+NH4]+ 342.07542 171.3
[M+K]+ 363.00476 174.0
[M-H]- 323.03432 169.0
[M+Na-2H]- 345.01627 172.1
[M]+ 324.04105 168.2
[M]- 324.04215 168.2
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

patents stripe