CID 1502061

3,5-bis-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 137.2
[M+Na]+ 300.88342 148.3
[M-H]- 276.88692 143.2
[M+NH4]+ 295.92802 156.7
[M+K]+ 316.85736 132.6
[M+H-H2O]+ 260.89146 145.6
[M+HCOO]- 322.89240 153.0
[M+CH3COO]- 336.90805 198.9
[M+Na-2H]- 298.86887 144.6
[M]+ 277.89365 170.9
[M]- 277.89475 170.9
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