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

2
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

literature stripe

Patent stripe

patents stripe