CID 55457

3,5-dibromo-4-methylphenol

Structural Information

Molecular Formula
C7H6Br2O
SMILES
CC1=C(C=C(C=C1Br)O)Br
InChI
InChI=1S/C7H6Br2O/c1-4-6(8)2-5(10)3-7(4)9/h2-3,10H,1H3
InChIKey
AXCQKKVGMZCWPC-UHFFFAOYSA-N
Compound name
3,5-dibromo-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

263.87854 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.88582 141.5
[M+Na]+ 286.86776 137.4
[M+NH4]+ 281.91236 143.9
[M+K]+ 302.84170 143.7
[M-H]- 262.87126 142.4
[M+Na-2H]- 284.85321 143.5
[M]+ 263.87799 140.1
[M]- 263.87909 140.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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