CID 124422723

(1s)-1-(2,5-dibromophenyl)ethan-1-ol

Structural Information

Molecular Formula
C8H8Br2O
SMILES
C[C@@H](C1=C(C=CC(=C1)Br)Br)O
InChI
InChI=1S/C8H8Br2O/c1-5(11)7-4-6(9)2-3-8(7)10/h2-5,11H,1H3/t5-/m0/s1
InChIKey
IGWSQRWTHJDQPK-YFKPBYRVSA-N
Compound name
(1S)-1-(2,5-dibromophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.8942 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.90148 138.4
[M+Na]+ 300.88342 149.2
[M-H]- 276.88692 144.4
[M+NH4]+ 295.92802 157.9
[M+K]+ 316.85736 133.8
[M+H-H2O]+ 260.89146 146.8
[M+HCOO]- 322.89240 153.4
[M+CH3COO]- 336.90805 199.6
[M+Na-2H]- 298.86887 144.7
[M]+ 277.89365 171.6
[M]- 277.89475 171.6
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.