CID 15917519

52499-93-1

Structural Information

Molecular Formula
C9H11ClO5S
SMILES
COC1=CC(=C(C(=C1)OC)S(=O)(=O)Cl)OC
InChI
InChI=1S/C9H11ClO5S/c1-13-6-4-7(14-2)9(16(10,11)12)8(5-6)15-3/h4-5H,1-3H3
InChIKey
FGJGNZDVLPUDAJ-UHFFFAOYSA-N
Compound name
2,4,6-trimethoxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

266.0016 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.00888 149.2
[M+Na]+ 288.99082 160.2
[M-H]- 264.99432 154.3
[M+NH4]+ 284.03542 167.8
[M+K]+ 304.96476 157.5
[M+H-H2O]+ 248.99886 144.9
[M+HCOO]- 310.99980 163.9
[M+CH3COO]- 325.01545 191.4
[M+Na-2H]- 286.97627 153.1
[M]+ 266.00105 159.6
[M]- 266.00215 159.6
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