CID 60156325

(3,5-dibromo-4-methylphenyl)methanol

Structural Information

Molecular Formula
C8H8Br2O
SMILES
CC1=C(C=C(C=C1Br)CO)Br
InChI
InChI=1S/C8H8Br2O/c1-5-7(9)2-6(4-11)3-8(5)10/h2-3,11H,4H2,1H3
InChIKey
YBJGYASYCYJUDJ-UHFFFAOYSA-N
Compound name
(3,5-dibromo-4-methylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

277.8942 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.90148 136.5
[M+Na]+ 300.88342 148.2
[M-H]- 276.88692 142.7
[M+NH4]+ 295.92802 156.2
[M+K]+ 316.85736 132.5
[M+H-H2O]+ 260.89146 144.9
[M+HCOO]- 322.89240 152.2
[M+CH3COO]- 336.90805 199.8
[M+Na-2H]- 298.86887 143.3
[M]+ 277.89365 170.4
[M]- 277.89475 170.4
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