CID 25324204

1006376-60-8

Structural Information

Molecular Formula
C8H7ClF2O
SMILES
C1=CC(=C(C=C1[C@@H](CCl)O)F)F
InChI
InChI=1S/C8H7ClF2O/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,12H,4H2/t8-/m1/s1
InChIKey
RYOLLNVCYSUXCP-MRVPVSSYSA-N
Compound name
(1S)-2-chloro-1-(3,4-difluorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

192.01535 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.02263 132.1
[M+Na]+ 215.00457 142.0
[M-H]- 191.00807 132.2
[M+NH4]+ 210.04917 152.2
[M+K]+ 230.97851 137.5
[M+H-H2O]+ 175.01261 126.4
[M+HCOO]- 237.01355 148.1
[M+CH3COO]- 251.02920 180.1
[M+Na-2H]- 212.99002 136.2
[M]+ 192.01480 131.1
[M]- 192.01590 131.1
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

No patent data available for this compound.