CID 10012415

126534-42-7

Structural Information

Molecular Formula
C8H8ClFO
SMILES
C1=CC(=CC=C1[C@@H](CCl)O)F
InChI
InChI=1S/C8H8ClFO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,11H,5H2/t8-/m1/s1
InChIKey
VTCREIYEGAGUDS-MRVPVSSYSA-N
Compound name
(1S)-2-chloro-1-(4-fluorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

174.02477 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.03205 130.4
[M+Na]+ 197.01399 139.4
[M-H]- 173.01749 131.6
[M+NH4]+ 192.05859 151.1
[M+K]+ 212.98793 135.4
[M+H-H2O]+ 157.02203 125.5
[M+HCOO]- 219.02297 147.5
[M+CH3COO]- 233.03862 176.2
[M+Na-2H]- 194.99944 135.9
[M]+ 174.02422 130.2
[M]- 174.02532 130.2
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