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

26
Patents

301.94156 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.94884 143.8
[M+Na]+ 324.93078 146.3
[M-H]- 300.93428 136.0
[M+NH4]+ 319.97538 158.1
[M+K]+ 340.90472 148.9
[M+H-H2O]+ 284.93882 133.0
[M+HCOO]- 346.93976 157.5
[M+CH3COO]- 360.95541 189.3
[M+Na-2H]- 322.91623 137.0
[M]+ 301.94101 137.3
[M]- 301.94211 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