CID 11557536

(s)-1-(2,6-dichloro-3-fluorophenyl)ethanol

Structural Information

Molecular Formula
C8H7Cl2FO
SMILES
C[C@@H](C1=C(C=CC(=C1Cl)F)Cl)O
InChI
InChI=1S/C8H7Cl2FO/c1-4(12)7-5(9)2-3-6(11)8(7)10/h2-4,12H,1H3/t4-/m0/s1
InChIKey
JAOYKRSASYNDGH-BYPYZUCNSA-N
Compound name
(1S)-1-(2,6-dichloro-3-fluorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

408
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

literature stripe

Patent stripe

patents stripe