CID 86669753

4,5-difluoro-2-nitrobenzene-1-sulfonyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

256.93613 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.943406 139.7
[M+Na]+ 279.925348 150.4
[M-H]- 255.928854 142.0
[M+NH4]+ 274.969953 157.3
[M+K]+ 295.899288 142.1
[M+H-H2O]+ 239.933390 138.6
[M+HCOO]- 301.934331 153.6
[M+CH3COO]- 315.949981 182.5
[M+Na-2H]- 277.910796 145.2
[M]+ 256.93558142 140.7
[M]- 256.93667858 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

patents stripe