CID 2777030

67640-33-9

Structural Information

Molecular Formula
C7H5F3O
SMILES
C1=C(C=C(C(=C1CO)F)F)F
InChI
InChI=1S/C7H5F3O/c8-5-1-4(3-11)7(10)6(9)2-5/h1-2,11H,3H2
InChIKey
IAYKYKBQMLBYAI-UHFFFAOYSA-N
Compound name
(2,3,5-trifluorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

224
Patents

162.02925 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.036526 124.6
[M+Na]+ 185.018468 135.3
[M-H]- 161.021974 124.0
[M+NH4]+ 180.063073 145.3
[M+K]+ 200.992408 132.3
[M+H-H2O]+ 145.026510 117.4
[M+HCOO]- 207.027451 145.3
[M+CH3COO]- 221.043101 176.4
[M+Na-2H]- 183.003916 129.6
[M]+ 162.02870142 120.9
[M]- 162.02979858 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