CID 11218255

(2,6-dimethylphenyl)methanesulfonyl chloride

Structural Information

Molecular Formula
C9H11ClO2S
SMILES
CC1=C(C(=CC=C1)C)CS(=O)(=O)Cl
InChI
InChI=1S/C9H11ClO2S/c1-7-4-3-5-8(2)9(7)6-13(10,11)12/h3-5H,6H2,1-2H3
InChIKey
SLVJLZHMCFBLKO-UHFFFAOYSA-N
Compound name
(2,6-dimethylphenyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

218.01683 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.02411 140.9
[M+Na]+ 241.00605 151.7
[M-H]- 217.00955 145.7
[M+NH4]+ 236.05065 161.5
[M+K]+ 256.97999 147.3
[M+H-H2O]+ 201.01409 136.9
[M+HCOO]- 263.01503 154.9
[M+CH3COO]- 277.03068 184.0
[M+Na-2H]- 238.99150 144.7
[M]+ 218.01628 146.6
[M]- 218.01738 146.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe