CID 74891345

3-bromo-2-fluoro-6-methoxyphenol

Structural Information

Molecular Formula
C7H6BrFO2
SMILES
COC1=C(C(=C(C=C1)Br)F)O
InChI
InChI=1S/C7H6BrFO2/c1-11-5-3-2-4(8)6(9)7(5)10/h2-3,10H,1H3
InChIKey
CMDAXWAGQKABTP-UHFFFAOYSA-N
Compound name
3-bromo-2-fluoro-6-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

219.95352 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.96080 134.5
[M+Na]+ 242.94274 148.0
[M-H]- 218.94624 139.2
[M+NH4]+ 237.98734 156.5
[M+K]+ 258.91668 137.2
[M+H-H2O]+ 202.95078 134.5
[M+HCOO]- 264.95172 155.1
[M+CH3COO]- 278.96737 183.3
[M+Na-2H]- 240.92819 141.5
[M]+ 219.95297 153.2
[M]- 219.95407 153.2
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

No patent data available for this compound.