CID 62199108

1247754-99-9

Structural Information

Molecular Formula
C7H6ClIO3S
SMILES
COC1=CC(=C(C=C1)I)S(=O)(=O)Cl
InChI
InChI=1S/C7H6ClIO3S/c1-12-5-2-3-6(9)7(4-5)13(8,10)11/h2-4H,1H3
InChIKey
NHVUTEOEJCFDAA-UHFFFAOYSA-N
Compound name
2-iodo-5-methoxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.87708 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.88436 150.0
[M+Na]+ 354.86630 153.9
[M-H]- 330.86980 147.8
[M+NH4]+ 349.91090 165.1
[M+K]+ 370.84024 156.0
[M+H-H2O]+ 314.87434 142.2
[M+HCOO]- 376.87528 159.9
[M+CH3COO]- 390.89093 191.2
[M+Na-2H]- 352.85175 142.5
[M]+ 331.87653 153.4
[M]- 331.87763 153.4
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.