CID 7009423

(3,5-dibromophenyl)methanol

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

264
Patents

263.87854 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.885816 133.1
[M+Na]+ 286.867758 144.5
[M-H]- 262.871264 139.1
[M+NH4]+ 281.912363 153.0
[M+K]+ 302.841698 129.0
[M+H-H2O]+ 246.875800 141.6
[M+HCOO]- 308.876741 149.1
[M+CH3COO]- 322.892391 196.6
[M+Na-2H]- 284.853206 140.9
[M]+ 263.87799142 166.5
[M]- 263.87908858 166.5
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