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

11
Patents

268.9561 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.96338 146.0
[M+Na]+ 291.94532 155.9
[M-H]- 267.94882 149.5
[M+NH4]+ 286.98992 163.1
[M+K]+ 307.91926 148.4
[M+H-H2O]+ 251.95336 145.4
[M+HCOO]- 313.95430 160.7
[M+CH3COO]- 327.96995 184.9
[M+Na-2H]- 289.93077 151.8
[M]+ 268.95555 149.8
[M]- 268.95665 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