CID 15725376

4-chloro-2-methoxybenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H6Cl2O3S
SMILES
COC1=C(C=CC(=C1)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C7H6Cl2O3S/c1-12-6-4-5(8)2-3-7(6)13(9,10)11/h2-4H,1H3
InChIKey
JIFZOSWXWRNSFB-UHFFFAOYSA-N
Compound name
4-chloro-2-methoxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

239.94147 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.948746 140.6
[M+Na]+ 262.930688 152.3
[M-H]- 238.934194 145.3
[M+NH4]+ 257.975293 160.6
[M+K]+ 278.904628 147.6
[M+H-H2O]+ 222.938730 137.7
[M+HCOO]- 284.939671 150.5
[M+CH3COO]- 298.955321 184.8
[M+Na-2H]- 260.916136 145.0
[M]+ 239.94092142 147.8
[M]- 239.94201858 147.8
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