CID 1502061

3,5-di(bromomethyl)phenol

Structural Information

Molecular Formula
C8H8Br2O
SMILES
C1=C(C=C(C=C1CBr)O)CBr
InChI
InChI=1S/C8H8Br2O/c9-4-6-1-7(5-10)3-8(11)2-6/h1-3,11H,4-5H2
InChIKey
APVHBKWRCCBVFK-UHFFFAOYSA-N
Compound name
3,5-bis(bromomethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

277.8942 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.90148 145.6
[M+Na]+ 300.88342 141.2
[M+NH4]+ 295.92802 147.9
[M+K]+ 316.85736 147.1
[M-H]- 276.88692 146.4
[M+Na-2H]- 298.86887 147.4
[M]+ 277.89365 144.1
[M]- 277.89475 144.1
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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