CID 3052696

69226-40-0

Structural Information

Molecular Formula
C9H12N2O5S
SMILES
CC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)NCCO
InChI
InChI=1S/C9H12N2O5S/c1-7-6-8(11(13)14)2-3-9(7)17(15,16)10-4-5-12/h2-3,6,10,12H,4-5H2,1H3
InChIKey
SUFXZUYEYHQFSS-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-2-methyl-4-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.0467 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.05398 150.9
[M+Na]+ 283.03592 160.7
[M+NH4]+ 278.08052 156.6
[M+K]+ 299.00986 158.1
[M-H]- 259.03942 151.8
[M+Na-2H]- 281.02137 154.8
[M]+ 260.04615 152.6
[M]- 260.04725 152.6
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

No patent data available for this compound.