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]+ 208.99308 134.1
[M+Na]+ 230.97502 145.2
[M-H]- 206.97852 135.3
[M+NH4]+ 226.01962 154.3
[M+K]+ 246.94896 139.8
[M+H-H2O]+ 190.98306 130.5
[M+HCOO]- 252.98400 146.1
[M+CH3COO]- 266.99965 183.3
[M+Na-2H]- 228.96047 137.5
[M]+ 207.98525 135.7
[M]- 207.98635 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