CID 58022358

4-fluoro-2-methoxy-5-nitrobenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H5ClFNO5S
SMILES
COC1=C(C=C(C(=C1)F)[N+](=O)[O-])S(=O)(=O)Cl
InChI
InChI=1S/C7H5ClFNO5S/c1-15-6-2-4(9)5(10(11)12)3-7(6)16(8,13)14/h2-3H,1H3
InChIKey
DSFQYTSRQCMGGB-UHFFFAOYSA-N
Compound name
4-fluoro-2-methoxy-5-nitrobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

268.9561 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.963376 146.0
[M+Na]+ 291.945318 155.9
[M-H]- 267.948824 149.5
[M+NH4]+ 286.989923 163.1
[M+K]+ 307.919258 148.4
[M+H-H2O]+ 251.953360 145.4
[M+HCOO]- 313.954301 160.7
[M+CH3COO]- 327.969951 184.9
[M+Na-2H]- 289.930766 151.8
[M]+ 268.95555142 149.8
[M]- 268.95664858 149.8
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

patents stripe