CID 95455

1-(2-bromophenyl)ethanol

Structural Information

Molecular Formula
C8H9BrO
SMILES
CC(C1=CC=CC=C1Br)O
InChI
InChI=1S/C8H9BrO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3
InChIKey
DZLZSFZSPIUINR-UHFFFAOYSA-N
Compound name
1-(2-bromophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

386
Patents

199.98367 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.99095 132.7
[M+Na]+ 222.97289 136.4
[M+NH4]+ 218.01749 138.2
[M+K]+ 238.94683 136.5
[M-H]- 198.97639 133.4
[M+Na-2H]- 220.95834 136.8
[M]+ 199.98312 132.3
[M]- 199.98422 132.3
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