CID 50989188

(4-methoxy-3-nitrophenyl)methanesulfonyl fluoride

Structural Information

Molecular Formula
C8H8FNO5S
SMILES
COC1=C(C=C(C=C1)CS(=O)(=O)F)[N+](=O)[O-]
InChI
InChI=1S/C8H8FNO5S/c1-15-8-3-2-6(5-16(9,13)14)4-7(8)10(11)12/h2-4H,5H2,1H3
InChIKey
VNLNWBAJFFMVEM-UHFFFAOYSA-N
Compound name
(4-methoxy-3-nitrophenyl)methanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.01073 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.018006 145.8
[M+Na]+ 271.999948 154.2
[M-H]- 248.003454 148.9
[M+NH4]+ 267.044553 162.6
[M+K]+ 287.973888 147.9
[M+H-H2O]+ 232.007990 143.6
[M+HCOO]- 294.008931 164.7
[M+CH3COO]- 308.024581 182.9
[M+Na-2H]- 269.985396 152.1
[M]+ 249.01018142 147.6
[M]- 249.01127858 147.6
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.