CID 11659109

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

Structural Information

Molecular Formula
C6H2Cl2FNO4S
SMILES
C1=C(C(=CC(=C1S(=O)(=O)Cl)Cl)F)[N+](=O)[O-]
InChI
InChI=1S/C6H2Cl2FNO4S/c7-3-1-4(9)5(10(11)12)2-6(3)15(8,13)14/h1-2H
InChIKey
QQYXMCLSCRSLQP-UHFFFAOYSA-N
Compound name
2-chloro-4-fluoro-5-nitrobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

272.90656 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.91384 144.4
[M+Na]+ 295.89578 154.8
[M-H]- 271.89928 147.4
[M+NH4]+ 290.94038 161.7
[M+K]+ 311.86972 146.1
[M+H-H2O]+ 255.90382 145.3
[M+HCOO]- 317.90476 154.2
[M+CH3COO]- 331.92041 184.5
[M+Na-2H]- 293.88123 149.5
[M]+ 272.90601 147.4
[M]- 272.90711 147.4
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