CID 16769979

1-(2,4-dichloro-5-fluorophenyl)ethan-1-ol

Structural Information

Molecular Formula
C8H7Cl2FO
SMILES
CC(C1=CC(=C(C=C1Cl)Cl)F)O
InChI
InChI=1S/C8H7Cl2FO/c1-4(12)5-2-8(11)7(10)3-6(5)9/h2-4,12H,1H3
InChIKey
MNZGIFONSZRANH-UHFFFAOYSA-N
Compound name
1-(2,4-dichloro-5-fluorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

207.9858 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.993076 134.1
[M+Na]+ 230.975018 145.2
[M-H]- 206.978524 135.3
[M+NH4]+ 226.019623 154.3
[M+K]+ 246.948958 139.8
[M+H-H2O]+ 190.983060 130.5
[M+HCOO]- 252.984001 146.1
[M+CH3COO]- 266.999651 183.3
[M+Na-2H]- 228.960466 137.5
[M]+ 207.98525142 135.7
[M]- 207.98634858 135.7
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