CID 7009423

3,5-dibromobenzyl alcohol

Structural Information

Molecular Formula
C7H6Br2O
SMILES
C1=C(C=C(C=C1Br)Br)CO
InChI
InChI=1S/C7H6Br2O/c8-6-1-5(4-10)2-7(9)3-6/h1-3,10H,4H2
InChIKey
ZQNSHKZQTZSNTB-UHFFFAOYSA-N
Compound name
(3,5-dibromophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

297
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 142.1
[M+Na]+ 286.86776 137.8
[M+NH4]+ 281.91236 144.5
[M+K]+ 302.84170 143.9
[M-H]- 262.87126 143.0
[M+Na-2H]- 284.85321 144.1
[M]+ 263.87799 140.6
[M]- 263.87909 140.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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