CID 91658964

(3-fluoro-5-iodophenyl)methanol

Structural Information

Molecular Formula
C7H6FIO
SMILES
C1=C(C=C(C=C1F)I)CO
InChI
InChI=1S/C7H6FIO/c8-6-1-5(4-10)2-7(9)3-6/h1-3,10H,4H2
InChIKey
FVPNYCKCRUTKOB-UHFFFAOYSA-N
Compound name
(3-fluoro-5-iodophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
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 136.2
[M+Na]+ 274.93395 141.3
[M+NH4]+ 269.97855 140.3
[M+K]+ 290.90789 138.2
[M-H]- 250.93745 130.9
[M+Na-2H]- 272.91940 130.2
[M]+ 251.94418 134.3
[M]- 251.94528 134.3
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