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

1236
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 133.2
[M+Na]+ 222.97289 145.6
[M-H]- 198.97639 138.8
[M+NH4]+ 218.01749 155.9
[M+K]+ 238.94683 134.5
[M+H-H2O]+ 182.98093 134.2
[M+HCOO]- 244.98187 154.3
[M+CH3COO]- 258.99752 180.7
[M+Na-2H]- 220.95834 141.1
[M]+ 199.98312 151.7
[M]- 199.98422 151.7
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