CID 20116841

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

239.94147 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.94875 140.6
[M+Na]+ 262.93069 152.3
[M-H]- 238.93419 145.3
[M+NH4]+ 257.97529 160.6
[M+K]+ 278.90463 147.6
[M+H-H2O]+ 222.93873 137.7
[M+HCOO]- 284.93967 150.5
[M+CH3COO]- 298.95532 184.8
[M+Na-2H]- 260.91614 145.0
[M]+ 239.94092 147.8
[M]- 239.94202 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