CID 19261572

3-iodo-5-(trifluoromethyl)benzyl alcohol

Structural Information

Molecular Formula
C8H6F3IO
SMILES
C1=C(C=C(C=C1C(F)(F)F)I)CO
InChI
InChI=1S/C8H6F3IO/c9-8(10,11)6-1-5(4-13)2-7(12)3-6/h1-3,13H,4H2
InChIKey
SDEIKGNIPZOYBL-UHFFFAOYSA-N
Compound name
[3-iodo-5-(trifluoromethyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

301.94156 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.948836 143.8
[M+Na]+ 324.930778 146.3
[M-H]- 300.934284 136.0
[M+NH4]+ 319.975383 158.1
[M+K]+ 340.904718 148.9
[M+H-H2O]+ 284.938820 133.0
[M+HCOO]- 346.939761 157.5
[M+CH3COO]- 360.955411 189.3
[M+Na-2H]- 322.916226 137.0
[M]+ 301.94101142 137.3
[M]- 301.94210858 137.3
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