CID 55279923

2-hydroxy-5-methoxybenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H7ClO4S
SMILES
COC1=CC(=C(C=C1)O)S(=O)(=O)Cl
InChI
InChI=1S/C7H7ClO4S/c1-12-5-2-3-6(9)7(4-5)13(8,10)11/h2-4,9H,1H3
InChIKey
LWWOHCUQNFEGCV-UHFFFAOYSA-N
Compound name
2-hydroxy-5-methoxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.97536 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.98264 138.5
[M+Na]+ 244.96458 149.4
[M-H]- 220.96808 142.2
[M+NH4]+ 240.00918 158.0
[M+K]+ 260.93852 145.5
[M+H-H2O]+ 204.97262 134.9
[M+HCOO]- 266.97356 152.2
[M+CH3COO]- 280.98921 179.6
[M+Na-2H]- 242.95003 143.3
[M]+ 221.97481 144.5
[M]- 221.97591 144.5
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.