CID 2737504

3-methoxybenzenesulfonyl chloride

Structural Information

Molecular Formula
C7H7ClO3S
SMILES
COC1=CC(=CC=C1)S(=O)(=O)Cl
InChI
InChI=1S/C7H7ClO3S/c1-11-6-3-2-4-7(5-6)12(8,9)10/h2-5H,1H3
InChIKey
JHJKSEKUZNJKGO-UHFFFAOYSA-N
Compound name
3-methoxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2049
Patents

205.98044 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.98772 136.0
[M+Na]+ 228.96966 146.7
[M-H]- 204.97316 140.8
[M+NH4]+ 224.01426 156.7
[M+K]+ 244.94360 143.2
[M+H-H2O]+ 188.97770 132.0
[M+HCOO]- 250.97864 150.9
[M+CH3COO]- 264.99429 178.9
[M+Na-2H]- 226.95511 141.6
[M]+ 205.97989 142.0
[M]- 205.98099 142.0
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