CID 309424

2-methoxy-4-nitrobenzenesulfonyl fluoride

Structural Information

Molecular Formula
C7H6FNO5S
SMILES
COC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)F
InChI
InChI=1S/C7H6FNO5S/c1-14-6-4-5(9(10)11)2-3-7(6)15(8,12)13/h2-4H,1H3
InChIKey
LAUPFCXWHNSUKE-UHFFFAOYSA-N
Compound name
2-methoxy-4-nitrobenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.99507 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.00235 141.0
[M+Na]+ 257.98429 149.9
[M-H]- 233.98779 144.3
[M+NH4]+ 253.02889 158.4
[M+K]+ 273.95823 143.8
[M+H-H2O]+ 217.99233 139.0
[M+HCOO]- 279.99327 160.3
[M+CH3COO]- 294.00892 179.9
[M+Na-2H]- 255.96974 147.8
[M]+ 234.99452 142.5
[M]- 234.99562 142.5
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.