CID 3575546

546077-27-4

Structural Information

Molecular Formula
C9H12N2O5S
SMILES
CCS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC
InChI
InChI=1S/C9H12N2O5S/c1-3-17(14,15)10-8-5-4-7(11(12)13)6-9(8)16-2/h4-6,10H,3H2,1-2H3
InChIKey
LRLFEGMYOBTSIO-UHFFFAOYSA-N
Compound name
N-(2-methoxy-4-nitrophenyl)ethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

260.0467 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.053976 151.3
[M+Na]+ 283.035918 158.3
[M-H]- 259.039424 155.4
[M+NH4]+ 278.080523 167.3
[M+K]+ 299.009858 151.9
[M+H-H2O]+ 243.043960 149.3
[M+HCOO]- 305.044901 171.8
[M+CH3COO]- 319.060551 188.0
[M+Na-2H]- 281.021366 158.3
[M]+ 260.04615142 153.6
[M]- 260.04724858 153.6
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