CID 55280892

3,4-diethylbenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C10H13ClO2S
SMILES
CCC1=C(C=C(C=C1)S(=O)(=O)Cl)CC
InChI
InChI=1S/C10H13ClO2S/c1-3-8-5-6-10(14(11,12)13)7-9(8)4-2/h5-7H,3-4H2,1-2H3
InChIKey
POFJTJWGZDPGGE-UHFFFAOYSA-N
Compound name
3,4-diethylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

232.03249 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.03977 145.5
[M+Na]+ 255.02171 155.9
[M-H]- 231.02521 150.1
[M+NH4]+ 250.06631 165.5
[M+K]+ 270.99565 151.2
[M+H-H2O]+ 215.02975 141.3
[M+HCOO]- 277.03069 159.2
[M+CH3COO]- 291.04634 187.0
[M+Na-2H]- 253.00716 148.8
[M]+ 232.03194 151.5
[M]- 232.03304 151.5
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