CID 22755815

(e)-2-(2,4-dichlorophenyl)ethene-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H5Cl3O2S
SMILES
C1=CC(=C(C=C1Cl)Cl)/C=C/S(=O)(=O)Cl
InChI
InChI=1S/C8H5Cl3O2S/c9-7-2-1-6(8(10)5-7)3-4-14(11,12)13/h1-5H/b4-3+
InChIKey
MQFAGVDNFKYFHR-ONEGZZNKSA-N
Compound name
(E)-2-(2,4-dichlorophenyl)ethenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

269.9076 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.91488 148.3
[M+Na]+ 292.89682 159.6
[M-H]- 268.90032 151.6
[M+NH4]+ 287.94142 166.9
[M+K]+ 308.87076 152.9
[M+H-H2O]+ 252.90486 146.0
[M+HCOO]- 314.90580 152.4
[M+CH3COO]- 328.92145 189.6
[M+Na-2H]- 290.88227 150.8
[M]+ 269.90705 153.4
[M]- 269.90815 153.4
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