CID 57731091

2-fluoro-4-iodobenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H3ClFIO2S
SMILES
C1=CC(=C(C=C1I)F)S(=O)(=O)Cl
InChI
InChI=1S/C6H3ClFIO2S/c7-12(10,11)6-2-1-4(9)3-5(6)8/h1-3H
InChIKey
ZLTQLOZWUFFDHS-UHFFFAOYSA-N
Compound name
2-fluoro-4-iodobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

319.8571 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.86438 141.9
[M+Na]+ 342.84632 146.5
[M-H]- 318.84982 138.6
[M+NH4]+ 337.89092 157.5
[M+K]+ 358.82026 147.9
[M+H-H2O]+ 302.85436 133.7
[M+HCOO]- 364.85530 151.1
[M+CH3COO]- 378.87095 189.0
[M+Na-2H]- 340.83177 134.6
[M]+ 319.85655 142.8
[M]- 319.85765 142.8
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