CID 107477862

1688714-10-4

Structural Information

Molecular Formula
C8H7ClF2O
SMILES
C[C@@H](C1=CC(=C(C=C1Cl)F)F)O
InChI
InChI=1S/C8H7ClF2O/c1-4(12)5-2-7(10)8(11)3-6(5)9/h2-4,12H,1H3/t4-/m0/s1
InChIKey
SFAOCTOJGNBPEU-BYPYZUCNSA-N
Compound name
(1S)-1-(2-chloro-4,5-difluorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.01535 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.02263 131.3
[M+Na]+ 215.00457 142.2
[M-H]- 191.00807 131.9
[M+NH4]+ 210.04917 151.8
[M+K]+ 230.97851 137.8
[M+H-H2O]+ 175.01261 126.0
[M+HCOO]- 237.01355 147.4
[M+CH3COO]- 251.02920 181.3
[M+Na-2H]- 212.99002 134.9
[M]+ 192.01480 130.7
[M]- 192.01590 130.7
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.