CID 2734080

(2,3,4,5-tetrafluorophenyl)methanol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
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

No literature data available for this compound.

Patent stripe

patents stripe