CID 16228414

4-difluoromethanesulfonylbenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H5ClF2O4S2
SMILES
C1=CC(=CC=C1S(=O)(=O)C(F)F)S(=O)(=O)Cl
InChI
InChI=1S/C7H5ClF2O4S2/c8-16(13,14)6-3-1-5(2-4-6)15(11,12)7(9)10/h1-4,7H
InChIKey
MRZSQJIRQHGKEQ-UHFFFAOYSA-N
Compound name
4-(difluoromethylsulfonyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

289.9286 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.93588 149.4
[M+Na]+ 312.91782 159.5
[M-H]- 288.92132 151.1
[M+NH4]+ 307.96242 166.0
[M+K]+ 328.89176 154.0
[M+H-H2O]+ 272.92586 143.5
[M+HCOO]- 334.92680 154.6
[M+CH3COO]- 348.94245 190.6
[M+Na-2H]- 310.90327 152.2
[M]+ 289.92805 152.6
[M]- 289.92915 152.6
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