CID 2733946

2,3,4,5,6-pentabromobenzyl alcohol

Structural Information

Molecular Formula
C7H3Br5O
SMILES
C(C1=C(C(=C(C(=C1Br)Br)Br)Br)Br)O
InChI
InChI=1S/C7H3Br5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2
InChIKey
KKWHDMUCBWSKGL-UHFFFAOYSA-N
Compound name
(2,3,4,5,6-pentabromophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

497.61008 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.61736 162.6
[M+Na]+ 520.59930 170.0
[M-H]- 496.60280 166.0
[M+NH4]+ 515.64390 170.0
[M+K]+ 536.57324 158.4
[M+H-H2O]+ 480.60734 179.8
[M+HCOO]- 542.60828 165.9
[M+CH3COO]- 556.62393 244.8
[M+Na-2H]- 518.58475 162.8
[M]+ 497.60953 192.9
[M]- 497.61063 192.9
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