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

94
Patents

192.01535 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.022626 132.1
[M+Na]+ 215.004568 142.0
[M-H]- 191.008074 132.2
[M+NH4]+ 210.049173 152.2
[M+K]+ 230.978508 137.5
[M+H-H2O]+ 175.012610 126.4
[M+HCOO]- 237.013551 148.1
[M+CH3COO]- 251.029201 180.1
[M+Na-2H]- 212.990016 136.2
[M]+ 192.01480142 131.1
[M]- 192.01589858 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

literature stripe

Patent stripe

patents stripe