CID 50852803

(1r)-1-(2-bromo-5-chlorophenyl)ethan-1-ol

Structural Information

Molecular Formula
C8H8BrClO
SMILES
C[C@H](C1=C(C=CC(=C1)Cl)Br)O
InChI
InChI=1S/C8H8BrClO/c1-5(11)7-4-6(10)2-3-8(7)9/h2-5,11H,1H3/t5-/m1/s1
InChIKey
HKYNVWVJIOXCQX-RXMQYKEDSA-N
Compound name
(1R)-1-(2-bromo-5-chlorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

233.94472 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.951996 138.3
[M+Na]+ 256.933938 151.4
[M-H]- 232.937444 143.8
[M+NH4]+ 251.978543 160.5
[M+K]+ 272.907878 138.6
[M+H-H2O]+ 216.941980 140.1
[M+HCOO]- 278.942921 154.1
[M+CH3COO]- 292.958571 185.1
[M+Na-2H]- 254.919386 144.7
[M]+ 233.94417142 157.9
[M]- 233.94526858 157.9
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