CID 12648404

5-bromo-2-methylphenol

Structural Information

Molecular Formula
C7H7BrO
SMILES
CC1=C(C=C(C=C1)Br)O
InChI
InChI=1S/C7H7BrO/c1-5-2-3-6(8)4-7(5)9/h2-4,9H,1H3
InChIKey
OONJCAWRVJDVBB-UHFFFAOYSA-N
Compound name
5-bromo-2-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

586
Patents

185.96803 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.97531 128.5
[M+Na]+ 208.95725 141.3
[M-H]- 184.96075 134.3
[M+NH4]+ 204.00185 151.7
[M+K]+ 224.93119 130.5
[M+H-H2O]+ 168.96529 129.7
[M+HCOO]- 230.96623 150.0
[M+CH3COO]- 244.98188 177.8
[M+Na-2H]- 206.94270 137.0
[M]+ 185.96748 146.6
[M]- 185.96858 146.6
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