CID 45790937

2,6-difluoro-4-iodophenol

Structural Information

Molecular Formula
C6H3F2IO
SMILES
C1=C(C=C(C(=C1F)O)F)I
InChI
InChI=1S/C6H3F2IO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H
InChIKey
LHUADYKKTXZZMQ-UHFFFAOYSA-N
Compound name
2,6-difluoro-4-iodophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

255.91966 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.92694 129.8
[M+Na]+ 278.90888 133.4
[M-H]- 254.91238 123.7
[M+NH4]+ 273.95348 146.0
[M+K]+ 294.88282 136.6
[M+H-H2O]+ 238.91692 120.0
[M+HCOO]- 300.91786 146.6
[M+CH3COO]- 314.93351 182.4
[M+Na-2H]- 276.89433 123.5
[M]+ 255.91911 124.7
[M]- 255.92021 124.7
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