CID 53397357

(2,6-dibromophenyl)methanol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
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

No literature data available for this compound.

Patent stripe

patents stripe