CID 618887

54370-00-2

Structural Information

Molecular Formula
C9H11BrO3
SMILES
COC1=C(C=C(C(=C1)CO)Br)OC
InChI
InChI=1S/C9H11BrO3/c1-12-8-3-6(5-11)7(10)4-9(8)13-2/h3-4,11H,5H2,1-2H3
InChIKey
SDZSRNYOXRHPHZ-UHFFFAOYSA-N
Compound name
(2-bromo-4,5-dimethoxyphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

245.98917 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.99645 142.6
[M+Na]+ 268.97839 155.0
[M-H]- 244.98189 148.2
[M+NH4]+ 264.02299 163.6
[M+K]+ 284.95233 144.7
[M+H-H2O]+ 228.98643 142.8
[M+HCOO]- 290.98737 163.7
[M+CH3COO]- 305.00302 188.4
[M+Na-2H]- 266.96384 149.2
[M]+ 245.98862 164.4
[M]- 245.98972 164.4
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