CID 129964376

874839-95-9

Structural Information

Molecular Formula
C6H2ClF2IO2S
SMILES
C1=C(C=C(C(=C1F)S(=O)(=O)Cl)F)I
InChI
InChI=1S/C6H2ClF2IO2S/c7-13(11,12)6-4(8)1-3(10)2-5(6)9/h1-2H
InChIKey
QDDMVHLEXDFXRK-UHFFFAOYSA-N
Compound name
2,6-difluoro-4-iodobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.8477 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.85498 141.8
[M+Na]+ 360.83692 147.1
[M-H]- 336.84042 137.5
[M+NH4]+ 355.88152 156.9
[M+K]+ 376.81086 148.3
[M+H-H2O]+ 320.84496 132.9
[M+HCOO]- 382.84590 150.0
[M+CH3COO]- 396.86155 192.7
[M+Na-2H]- 358.82237 133.6
[M]+ 337.84715 142.0
[M]- 337.84825 142.0
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

No patent data available for this compound.