CID 59350817

1-(chloromethyl)-4-(methanesulfonylmethyl)benzene

Structural Information

Molecular Formula
C9H11ClO2S
SMILES
CS(=O)(=O)CC1=CC=C(C=C1)CCl
InChI
InChI=1S/C9H11ClO2S/c1-13(11,12)7-9-4-2-8(6-10)3-5-9/h2-5H,6-7H2,1H3
InChIKey
DMHTZSBEUOXPKG-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-4-(methylsulfonylmethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

218.01683 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.02411 141.9
[M+Na]+ 241.00605 151.9
[M-H]- 217.00955 146.3
[M+NH4]+ 236.05065 162.2
[M+K]+ 256.97999 147.3
[M+H-H2O]+ 201.01409 137.6
[M+HCOO]- 263.01503 155.9
[M+CH3COO]- 277.03068 182.8
[M+Na-2H]- 238.99150 146.3
[M]+ 218.01628 147.2
[M]- 218.01738 147.2
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

patents stripe