CID 90456147

(1s)-1-(3,5-dichlorophenyl)ethan-1-ol

Structural Information

Molecular Formula
C8H8Cl2O
SMILES
C[C@@H](C1=CC(=CC(=C1)Cl)Cl)O
InChI
InChI=1S/C8H8Cl2O/c1-5(11)6-2-7(9)4-8(10)3-6/h2-5,11H,1H3/t5-/m0/s1
InChIKey
URTUBSJCDSAWGE-YFKPBYRVSA-N
Compound name
(1S)-1-(3,5-dichlorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

189.99522 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.00250 133.0
[M+Na]+ 212.98444 143.2
[M-H]- 188.98794 135.2
[M+NH4]+ 208.02904 153.7
[M+K]+ 228.95838 138.1
[M+H-H2O]+ 172.99248 130.1
[M+HCOO]- 234.99342 146.0
[M+CH3COO]- 249.00907 179.5
[M+Na-2H]- 210.96989 137.6
[M]+ 189.99467 135.2
[M]- 189.99577 135.2
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