CID 265090

2-bromo-3-methylphenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

398
Patents

185.96803 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.97531 128.7
[M+Na]+ 208.95725 133.2
[M+NH4]+ 204.00185 134.4
[M+K]+ 224.93119 133.0
[M-H]- 184.96075 129.7
[M+Na-2H]- 206.94270 133.2
[M]+ 185.96748 128.5
[M]- 185.96858 128.5
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

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