CID 43123791

4-{[4-(propan-2-yl)phenyl]methoxy}benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C16H17ClO3S
SMILES
CC(C)C1=CC=C(C=C1)COC2=CC=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C16H17ClO3S/c1-12(2)14-5-3-13(4-6-14)11-20-15-7-9-16(10-8-15)21(17,18)19/h3-10,12H,11H2,1-2H3
InChIKey
YGKNXRJNTBMYQA-UHFFFAOYSA-N
Compound name
4-[(4-propan-2-ylphenyl)methoxy]benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.0587 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.065976 170.3
[M+Na]+ 347.047918 179.1
[M-H]- 323.051424 177.5
[M+NH4]+ 342.092523 186.0
[M+K]+ 363.021858 173.7
[M+H-H2O]+ 307.055960 164.1
[M+HCOO]- 369.056901 182.9
[M+CH3COO]- 383.072551 203.4
[M+Na-2H]- 345.033366 172.4
[M]+ 324.05815142 177.1
[M]- 324.05924858 177.1
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.