CID 2777037

2,4,6-trifluorobenzyl alcohol

Structural Information

Molecular Formula
C7H5F3O
SMILES
C1=C(C=C(C(=C1F)CO)F)F
InChI
InChI=1S/C7H5F3O/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2,11H,3H2
InChIKey
YJQDVBPZXNALEE-UHFFFAOYSA-N
Compound name
(2,4,6-trifluorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

210
Patents

162.02925 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.03653 124.6
[M+Na]+ 185.01847 135.3
[M-H]- 161.02197 124.0
[M+NH4]+ 180.06307 145.3
[M+K]+ 200.99241 132.3
[M+H-H2O]+ 145.02651 117.4
[M+HCOO]- 207.02745 145.3
[M+CH3COO]- 221.04310 176.4
[M+Na-2H]- 183.00392 129.6
[M]+ 162.02870 120.9
[M]- 162.02980 120.9
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