CID 4163399

3,5-dibromo-2-methylphenol

Structural Information

Molecular Formula
C7H6Br2O
SMILES
CC1=C(C=C(C=C1Br)Br)O
InChI
InChI=1S/C7H6Br2O/c1-4-6(9)2-5(8)3-7(4)10/h2-3,10H,1H3
InChIKey
VROUTHJWEHEEAY-UHFFFAOYSA-N
Compound name
3,5-dibromo-2-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

263.87854 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.885816 132.3
[M+Na]+ 286.867758 144.4
[M-H]- 262.871264 138.6
[M+NH4]+ 281.912363 152.5
[M+K]+ 302.841698 128.9
[M+H-H2O]+ 246.875800 140.9
[M+HCOO]- 308.876741 148.3
[M+CH3COO]- 322.892391 197.5
[M+Na-2H]- 284.853206 139.6
[M]+ 263.87799142 165.9
[M]- 263.87908858 165.9
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