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

28
Patents

251.94473 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.95201 133.9
[M+Na]+ 274.93395 136.2
[M-H]- 250.93745 128.6
[M+NH4]+ 269.97855 150.1
[M+K]+ 290.90789 139.6
[M+H-H2O]+ 234.94199 124.7
[M+HCOO]- 296.94293 151.5
[M+CH3COO]- 310.95858 181.5
[M+Na-2H]- 272.91940 128.2
[M]+ 251.94418 129.9
[M]- 251.94528 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