CID 13980668

2-(2-bromoethyl)phenol

Structural Information

Molecular Formula
C8H9BrO
SMILES
C1=CC=C(C(=C1)CCBr)O
InChI
InChI=1S/C8H9BrO/c9-6-5-7-3-1-2-4-8(7)10/h1-4,10H,5-6H2
InChIKey
GZPRFUSTANBATG-UHFFFAOYSA-N
Compound name
2-(2-bromoethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

79
Patents

199.98367 Da
Monoisotopic Mass

2.7
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

literature stripe

Patent stripe

patents stripe