CID 43363635

3-chloro-2,6-diethylbenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C10H12Cl2O2S
SMILES
CCC1=C(C(=C(C=C1)Cl)CC)S(=O)(=O)Cl
InChI
InChI=1S/C10H12Cl2O2S/c1-3-7-5-6-9(11)8(4-2)10(7)15(12,13)14/h5-6H,3-4H2,1-2H3
InChIKey
CUGBLMKRZZWLSG-UHFFFAOYSA-N
Compound name
3-chloro-2,6-diethylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.9935 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.00078 150.4
[M+Na]+ 288.98272 161.7
[M-H]- 264.98622 154.8
[M+NH4]+ 284.02732 169.7
[M+K]+ 304.95666 155.9
[M+H-H2O]+ 248.99076 147.3
[M+HCOO]- 310.99170 159.0
[M+CH3COO]- 325.00735 192.7
[M+Na-2H]- 286.96817 152.5
[M]+ 265.99295 157.7
[M]- 265.99405 157.7
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

No patent data available for this compound.