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 147.6
[M+Na]+ 266.00936 155.9
[M-H]- 242.01286 152.0
[M+NH4]+ 261.05396 164.6
[M+K]+ 281.98330 149.1
[M+H-H2O]+ 226.01740 146.3
[M+HCOO]- 288.01834 167.4
[M+CH3COO]- 302.03399 182.2
[M+Na-2H]- 263.99481 153.9
[M]+ 243.01959 150.1
[M]- 243.02069 150.1
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.