CID 27011

2,4-dibromoanisole

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

5
References

289
Patents

263.87854 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.88582 131.6
[M+Na]+ 286.86776 143.5
[M-H]- 262.87126 138.8
[M+NH4]+ 281.91236 152.2
[M+K]+ 302.84170 128.8
[M+H-H2O]+ 246.87580 140.2
[M+HCOO]- 308.87674 148.9
[M+CH3COO]- 322.89239 198.7
[M+Na-2H]- 284.85321 140.0
[M]+ 263.87799 166.5
[M]- 263.87909 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