CID 13551346

(3-bromo-4-methoxyphenyl)methanol

Structural Information

Molecular Formula
C8H9BrO2
SMILES
COC1=C(C=C(C=C1)CO)Br
InChI
InChI=1S/C8H9BrO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4,10H,5H2,1H3
InChIKey
QOUYJSKYVZRGCV-UHFFFAOYSA-N
Compound name
(3-bromo-4-methoxyphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

215.97859 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.98587 136.1
[M+Na]+ 238.96781 148.2
[M-H]- 214.97131 141.6
[M+NH4]+ 234.01241 158.0
[M+K]+ 254.94175 137.6
[M+H-H2O]+ 198.97585 136.7
[M+HCOO]- 260.97679 157.3
[M+CH3COO]- 274.99244 182.5
[M+Na-2H]- 236.95326 143.9
[M]+ 215.97804 155.8
[M]- 215.97914 155.8
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

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