CID 71757042

(3-fluoro-2-iodophenyl)methanol

Structural Information

Molecular Formula
C7H6FIO
SMILES
C1=CC(=C(C(=C1)F)I)CO
InChI
InChI=1S/C7H6FIO/c8-6-3-1-2-5(4-10)7(6)9/h1-3,10H,4H2
InChIKey
ONXZKWFZKQVMIG-UHFFFAOYSA-N
Compound name
(3-fluoro-2-iodophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

251.94473 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.952006 133.9
[M+Na]+ 274.933948 136.2
[M-H]- 250.937454 128.6
[M+NH4]+ 269.978553 150.1
[M+K]+ 290.907888 139.6
[M+H-H2O]+ 234.941990 124.7
[M+HCOO]- 296.942931 151.5
[M+CH3COO]- 310.958581 181.5
[M+Na-2H]- 272.919396 128.2
[M]+ 251.94418142 129.9
[M]- 251.94527858 129.9
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