CID 15923795

(3,5-dibromo-4-methoxyphenyl)methanol

Structural Information

Molecular Formula
C8H8Br2O2
SMILES
COC1=C(C=C(C=C1Br)CO)Br
InChI
InChI=1S/C8H8Br2O2/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-3,11H,4H2,1H3
InChIKey
VCOAUEHHKOSWHO-UHFFFAOYSA-N
Compound name
(3,5-dibromo-4-methoxyphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

293.8891 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.89638 138.5
[M+Na]+ 316.87832 150.1
[M-H]- 292.88182 144.7
[M+NH4]+ 311.92292 157.7
[M+K]+ 332.85226 134.7
[M+H-H2O]+ 276.88636 146.6
[M+HCOO]- 338.88730 154.4
[M+CH3COO]- 352.90295 201.3
[M+Na-2H]- 314.86377 145.3
[M]+ 293.88855 173.5
[M]- 293.88965 173.5
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

No patent data available for this compound.