CID 82912671

1548532-20-2

Structural Information

Molecular Formula
C7H3Cl3F2O3S
SMILES
C1=C(C(=CC(=C1Cl)S(=O)(=O)Cl)Cl)OC(F)F
InChI
InChI=1S/C7H3Cl3F2O3S/c8-3-2-6(16(10,13)14)4(9)1-5(3)15-7(11)12/h1-2,7H
InChIKey
JGGPIUGMMOVXAW-UHFFFAOYSA-N
Compound name
2,5-dichloro-4-(difluoromethoxy)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.88367 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.89095 153.7
[M+Na]+ 332.87289 164.9
[M+NH4]+ 327.91749 159.9
[M+K]+ 348.84683 158.1
[M-H]- 308.87639 151.0
[M+Na-2H]- 330.85834 157.5
[M]+ 309.88312 155.5
[M]- 309.88422 155.5
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.