CID 43106454

3-chloro-4-(cyclohexyloxy)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C12H14Cl2O3S
SMILES
C1CCC(CC1)OC2=C(C=C(C=C2)S(=O)(=O)Cl)Cl
InChI
InChI=1S/C12H14Cl2O3S/c13-11-8-10(18(14,15)16)6-7-12(11)17-9-4-2-1-3-5-9/h6-9H,1-5H2
InChIKey
PZXXAKOQXBKEHR-UHFFFAOYSA-N
Compound name
3-chloro-4-cyclohexyloxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.00406 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.011336 162.3
[M+Na]+ 330.993278 170.3
[M-H]- 306.996784 168.5
[M+NH4]+ 326.037883 179.0
[M+K]+ 346.967218 164.9
[M+H-H2O]+ 291.001320 157.7
[M+HCOO]- 353.002261 168.0
[M+CH3COO]- 367.017911 196.3
[M+Na-2H]- 328.978726 164.1
[M]+ 308.00351142 165.2
[M]- 308.00460858 165.2
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.