CID 12947380

(3,4-dibromophenyl)methanol

Structural Information

Molecular Formula
C7H6Br2O
SMILES
C1=CC(=C(C=C1CO)Br)Br
InChI
InChI=1S/C7H6Br2O/c8-6-2-1-5(4-10)3-7(6)9/h1-3,10H,4H2
InChIKey
LEBUFKMXQTTWDK-UHFFFAOYSA-N
Compound name
(3,4-dibromophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
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 142.1
[M+Na]+ 286.86776 137.8
[M+NH4]+ 281.91236 144.5
[M+K]+ 302.84170 143.9
[M-H]- 262.87126 143.0
[M+Na-2H]- 284.85321 144.1
[M]+ 263.87799 140.6
[M]- 263.87909 140.6
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