CID 2734090

2-(3-bromophenyl)ethan-1-ol

Structural Information

Molecular Formula
C8H9BrO
SMILES
C1=CC(=CC(=C1)Br)CCO
InChI
InChI=1S/C8H9BrO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6,10H,4-5H2
InChIKey
PTTFLKHCSZSFOL-UHFFFAOYSA-N
Compound name
2-(3-bromophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1070
Patents

199.98367 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.990946 134.0
[M+Na]+ 222.972888 145.4
[M-H]- 198.976394 139.2
[M+NH4]+ 218.017493 156.3
[M+K]+ 238.946828 134.4
[M+H-H2O]+ 182.980930 134.8
[M+HCOO]- 244.981871 155.1
[M+CH3COO]- 258.997521 179.6
[M+Na-2H]- 220.958336 142.5
[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

No literature data available for this compound.

Patent stripe

patents stripe