CID 75525786

1803570-73-1

Structural Information

Molecular Formula
C8H5F5O
SMILES
C1=C(C=C(C(=C1F)CO)F)C(F)(F)F
InChI
InChI=1S/C8H5F5O/c9-6-1-4(8(11,12)13)2-7(10)5(6)3-14/h1-2,14H,3H2
InChIKey
IWZJMMRHZHBIBS-UHFFFAOYSA-N
Compound name
[2,6-difluoro-4-(trifluoromethyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.02606 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.03334 135.6
[M+Na]+ 235.01528 146.5
[M-H]- 211.01878 132.4
[M+NH4]+ 230.05988 154.3
[M+K]+ 250.98922 142.8
[M+H-H2O]+ 195.02332 126.8
[M+HCOO]- 257.02426 152.2
[M+CH3COO]- 271.03991 184.9
[M+Na-2H]- 233.00073 139.4
[M]+ 212.02551 129.1
[M]- 212.02661 129.1
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

No patent data available for this compound.