CID 284571

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

Structural Information

Molecular Formula
C6H3Cl2NO4S
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])Cl)S(=O)(=O)Cl
InChI
InChI=1S/C6H3Cl2NO4S/c7-5-3-4(9(10)11)1-2-6(5)14(8,12)13/h1-3H
InChIKey
QWNVNPSFHISUID-UHFFFAOYSA-N
Compound name
2-chloro-4-nitrobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

307
Patents

254.91599 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.92327 144.1
[M+Na]+ 277.90521 153.8
[M-H]- 253.90871 148.2
[M+NH4]+ 272.94981 162.0
[M+K]+ 293.87915 145.4
[M+H-H2O]+ 237.91325 145.7
[M+HCOO]- 299.91419 154.9
[M+CH3COO]- 313.92984 180.7
[M+Na-2H]- 275.89066 150.2
[M]+ 254.91544 147.8
[M]- 254.91654 147.8
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