CID 11391461

3,4-dibromoanisole

Structural Information

Molecular Formula
C7H6Br2O
SMILES
COC1=CC(=C(C=C1)Br)Br
InChI
InChI=1S/C7H6Br2O/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,1H3
InChIKey
NTZLWIFNHUJNJS-UHFFFAOYSA-N
Compound name
1,2-dibromo-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

263.87854 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.885816 131.6
[M+Na]+ 286.867758 143.5
[M-H]- 262.871264 138.8
[M+NH4]+ 281.912363 152.2
[M+K]+ 302.841698 128.8
[M+H-H2O]+ 246.875800 140.2
[M+HCOO]- 308.876741 148.9
[M+CH3COO]- 322.892391 198.7
[M+Na-2H]- 284.853206 140.0
[M]+ 263.87799142 166.5
[M]- 263.87908858 166.5
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