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

1108
Patents

199.98367 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.99095 134.0
[M+Na]+ 222.97289 145.4
[M-H]- 198.97639 139.2
[M+NH4]+ 218.01749 156.3
[M+K]+ 238.94683 134.4
[M+H-H2O]+ 182.98093 134.8
[M+HCOO]- 244.98187 155.1
[M+CH3COO]- 258.99752 179.6
[M+Na-2H]- 220.95834 142.5
[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

No literature data available for this compound.

Patent stripe

patents stripe