CID 11861

2,4-dibromo-6-methylphenol

Structural Information

Molecular Formula
C7H6Br2O
SMILES
CC1=CC(=CC(=C1O)Br)Br
InChI
InChI=1S/C7H6Br2O/c1-4-2-5(8)3-6(9)7(4)10/h2-3,10H,1H3
InChIKey
XMKVPKGYUXVWEB-UHFFFAOYSA-N
Compound name
2,4-dibromo-6-methylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

106
Patents

263.87854 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.88582 132.3
[M+Na]+ 286.86776 144.4
[M-H]- 262.87126 138.6
[M+NH4]+ 281.91236 152.5
[M+K]+ 302.84170 128.9
[M+H-H2O]+ 246.87580 140.9
[M+HCOO]- 308.87674 148.3
[M+CH3COO]- 322.89239 197.5
[M+Na-2H]- 284.85321 139.6
[M]+ 263.87799 165.9
[M]- 263.87909 165.9
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