CID 22049882

4-cyclopropylbenzenesulphonyl chloride

Structural Information

Molecular Formula
C9H9ClO2S
SMILES
C1CC1C2=CC=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C9H9ClO2S/c10-13(11,12)9-5-3-8(4-6-9)7-1-2-7/h3-7H,1-2H2
InChIKey
QCHUBTJEGZWBFJ-UHFFFAOYSA-N
Compound name
4-cyclopropylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

216.00117 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.00845 136.4
[M+Na]+ 238.99039 147.5
[M-H]- 214.99389 144.5
[M+NH4]+ 234.03499 151.7
[M+K]+ 254.96433 142.9
[M+H-H2O]+ 198.99843 131.2
[M+HCOO]- 260.99937 151.2
[M+CH3COO]- 275.01502 184.7
[M+Na-2H]- 236.97584 141.6
[M]+ 216.00062 142.5
[M]- 216.00172 142.5
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