CID 2734029

2,3,5,6-tetrafluorobenzyl alcohol

Structural Information

Molecular Formula
C7H4F4O
SMILES
C1=C(C(=C(C(=C1F)F)CO)F)F
InChI
InChI=1S/C7H4F4O/c8-4-1-5(9)7(11)3(2-12)6(4)10/h1,12H,2H2
InChIKey
AGWVQASYTKCTCC-UHFFFAOYSA-N
Compound name
(2,3,5,6-tetrafluorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

368
Patents

180.01982 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.02710 126.8
[M+Na]+ 203.00904 138.6
[M-H]- 179.01254 125.3
[M+NH4]+ 198.05364 147.1
[M+K]+ 218.98298 135.1
[M+H-H2O]+ 163.01708 118.9
[M+HCOO]- 225.01802 146.5
[M+CH3COO]- 239.03367 180.5
[M+Na-2H]- 200.99449 130.6
[M]+ 180.01927 122.4
[M]- 180.02037 122.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe