CID 112756557

1803595-69-8

Structural Information

Molecular Formula
C9H10Cl2O2S
SMILES
CCCC1=CC(=C(C=C1)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C9H10Cl2O2S/c1-2-3-7-4-5-8(10)9(6-7)14(11,12)13/h4-6H,2-3H2,1H3
InChIKey
HLQSQWXPMRSGJG-UHFFFAOYSA-N
Compound name
2-chloro-5-propylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.97786 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.98514 146.8
[M+Na]+ 274.96708 157.7
[M-H]- 250.97058 151.0
[M+NH4]+ 270.01168 166.4
[M+K]+ 290.94102 152.0
[M+H-H2O]+ 234.97512 143.6
[M+HCOO]- 296.97606 155.8
[M+CH3COO]- 310.99171 188.6
[M+Na-2H]- 272.95253 149.9
[M]+ 251.97731 153.3
[M]- 251.97841 153.3
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.