CID 2761105

3,5-bis(methylsulfonyl)benzoyl chloride

Structural Information

Molecular Formula
C9H9ClO5S2
SMILES
CS(=O)(=O)C1=CC(=CC(=C1)C(=O)Cl)S(=O)(=O)C
InChI
InChI=1S/C9H9ClO5S2/c1-16(12,13)7-3-6(9(10)11)4-8(5-7)17(2,14)15/h3-5H,1-2H3
InChIKey
HVFOLOQLYMETFF-UHFFFAOYSA-N
Compound name
3,5-bis(methylsulfonyl)benzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

295.958 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.96528 164.9
[M+Na]+ 318.94722 175.3
[M+NH4]+ 313.99182 170.8
[M+K]+ 334.92116 168.1
[M-H]- 294.95072 163.3
[M+Na-2H]- 316.93267 167.8
[M]+ 295.95745 167.0
[M]- 295.95855 167.0
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