CID 26596773

(s)-1-(4-chloro-2-fluorophenyl)ethan-1-ol

Structural Information

Molecular Formula
C8H8ClFO
SMILES
C[C@@H](C1=C(C=C(C=C1)Cl)F)O
InChI
InChI=1S/C8H8ClFO/c1-5(11)7-3-2-6(9)4-8(7)10/h2-5,11H,1H3/t5-/m0/s1
InChIKey
SFYMSCDTIQQNLH-YFKPBYRVSA-N
Compound name
(1S)-1-(4-chloro-2-fluorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

174.02477 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.03205 129.7
[M+Na]+ 197.01399 139.6
[M-H]- 173.01749 131.3
[M+NH4]+ 192.05859 150.7
[M+K]+ 212.98793 135.6
[M+H-H2O]+ 157.02203 125.1
[M+HCOO]- 219.02297 146.8
[M+CH3COO]- 233.03862 177.4
[M+Na-2H]- 194.99944 134.5
[M]+ 174.02422 129.9
[M]- 174.02532 129.9
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