CID 98479

1-(3-bromophenyl)ethanol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

502
Patents

199.98367 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.990946 134.6
[M+Na]+ 222.972888 145.8
[M-H]- 198.976394 139.9
[M+NH4]+ 218.017493 156.9
[M+K]+ 238.946828 135.1
[M+H-H2O]+ 182.980930 135.4
[M+HCOO]- 244.981871 154.7
[M+CH3COO]- 258.997521 180.4
[M+Na-2H]- 220.958336 141.8
[M]+ 199.98312142 152.1
[M]- 199.98421858 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