CID 74255

2,4-dinitrobenzenesulfonyl chloride

Structural Information

Molecular Formula
C6H3ClN2O6S
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)Cl
InChI
InChI=1S/C6H3ClN2O6S/c7-16(14,15)6-2-1-4(8(10)11)3-5(6)9(12)13/h1-3H
InChIKey
SSFSNKZUKDBPIT-UHFFFAOYSA-N
Compound name
2,4-dinitrobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

1336
Patents

265.94003 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.94731 150.0
[M+Na]+ 288.92925 157.0
[M-H]- 264.93275 154.0
[M+NH4]+ 283.97385 165.0
[M+K]+ 304.90319 145.9
[M+H-H2O]+ 248.93729 154.2
[M+HCOO]- 310.93823 166.0
[M+CH3COO]- 324.95388 178.3
[M+Na-2H]- 286.91470 158.6
[M]+ 265.93948 150.3
[M]- 265.94058 150.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe