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]+ 261.05398 151.3
[M+Na]+ 283.03592 158.3
[M-H]- 259.03942 155.4
[M+NH4]+ 278.08052 167.3
[M+K]+ 299.00986 151.9
[M+H-H2O]+ 243.04396 149.3
[M+HCOO]- 305.04490 171.8
[M+CH3COO]- 319.06055 188.0
[M+Na-2H]- 281.02137 158.3
[M]+ 260.04615 153.6
[M]- 260.04725 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