CID 104264665

1-(ethenesulfonyl)-3-methoxy-2-nitrobenzene

Structural Information

Molecular Formula
C9H9NO5S
SMILES
COC1=C(C(=CC=C1)S(=O)(=O)C=C)[N+](=O)[O-]
InChI
InChI=1S/C9H9NO5S/c1-3-16(13,14)8-6-4-5-7(15-2)9(8)10(11)12/h3-6H,1H2,2H3
InChIKey
AHMZEJQIFMHFQB-UHFFFAOYSA-N
Compound name
1-ethenylsulfonyl-3-methoxy-2-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.02014 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.02742 147.4
[M+Na]+ 266.00936 159.2
[M+NH4]+ 261.05396 153.8
[M+K]+ 281.98330 155.6
[M-H]- 242.01286 148.4
[M+Na-2H]- 263.99481 152.0
[M]+ 243.01959 149.6
[M]- 243.02069 149.6
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.