CID 154779851

2384500-90-5

Structural Information

Molecular Formula
C8H8ClNO5S
SMILES
CC1=C(C=CC(=C1[N+](=O)[O-])OC)S(=O)(=O)Cl
InChI
InChI=1S/C8H8ClNO5S/c1-5-7(16(9,13)14)4-3-6(15-2)8(5)10(11)12/h3-4H,1-2H3
InChIKey
GJUNPTLHMBQUNJ-UHFFFAOYSA-N
Compound name
4-methoxy-2-methyl-3-nitrobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.98117 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.98845 149.2
[M+Na]+ 287.97039 158.7
[M-H]- 263.97389 153.9
[M+NH4]+ 283.01499 166.5
[M+K]+ 303.94433 151.4
[M+H-H2O]+ 247.97843 149.4
[M+HCOO]- 309.97937 164.6
[M+CH3COO]- 323.99502 185.2
[M+Na-2H]- 285.95584 154.9
[M]+ 264.98062 154.3
[M]- 264.98172 154.3
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.