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

113
Patents

263.87854 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.88582 133.1
[M+Na]+ 286.86776 144.5
[M-H]- 262.87126 139.1
[M+NH4]+ 281.91236 153.0
[M+K]+ 302.84170 129.0
[M+H-H2O]+ 246.87580 141.6
[M+HCOO]- 308.87674 149.1
[M+CH3COO]- 322.89239 196.6
[M+Na-2H]- 284.85321 140.9
[M]+ 263.87799 166.5
[M]- 263.87909 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