CID 95352

1-(4-bromophenyl)ethanol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

6
References

876
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 134.6
[M+Na]+ 222.97289 145.8
[M-H]- 198.97639 139.9
[M+NH4]+ 218.01749 156.9
[M+K]+ 238.94683 135.1
[M+H-H2O]+ 182.98093 135.4
[M+HCOO]- 244.98187 154.7
[M+CH3COO]- 258.99752 180.4
[M+Na-2H]- 220.95834 141.8
[M]+ 199.98312 152.1
[M]- 199.98422 152.1
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