CID 45791731

2,6-difluoro-4-nitrobenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H2ClF2NO4S
SMILES
C1=C(C=C(C(=C1F)S(=O)(=O)Cl)F)[N+](=O)[O-]
InChI
InChI=1S/C6H2ClF2NO4S/c7-15(13,14)6-4(8)1-3(10(11)12)2-5(6)9/h1-2H
InChIKey
XMTMCDJHARJFGE-UHFFFAOYSA-N
Compound name
2,6-difluoro-4-nitrobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.93613 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.94341 139.0
[M+Na]+ 279.92535 150.5
[M+NH4]+ 274.96995 145.2
[M+K]+ 295.89929 147.2
[M-H]- 255.92885 137.8
[M+Na-2H]- 277.91080 143.4
[M]+ 256.93558 140.7
[M]- 256.93668 140.7
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.