CID 87877

4-bromo-2-ethylphenol

Structural Information

Molecular Formula
C8H9BrO
SMILES
CCC1=C(C=CC(=C1)Br)O
InChI
InChI=1S/C8H9BrO/c1-2-6-5-7(9)3-4-8(6)10/h3-5,10H,2H2,1H3
InChIKey
MAAADQMBQYSOOG-UHFFFAOYSA-N
Compound name
4-bromo-2-ethylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1209
Patents

199.98367 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.99095 133.3
[M+Na]+ 222.97289 137.6
[M+NH4]+ 218.01749 138.9
[M+K]+ 238.94683 137.1
[M-H]- 198.97639 134.2
[M+Na-2H]- 220.95834 137.5
[M]+ 199.98312 133.0
[M]- 199.98422 133.0
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