CID 83895869

4-bromo-2-fluoro-6-[(methylamino)methyl]phenol

Structural Information

Molecular Formula
C8H9BrFNO
SMILES
CNCC1=C(C(=CC(=C1)Br)F)O
InChI
InChI=1S/C8H9BrFNO/c1-11-4-5-2-6(9)3-7(10)8(5)12/h2-3,11-12H,4H2,1H3
InChIKey
ZBGYUBKQPAHMQV-UHFFFAOYSA-N
Compound name
4-bromo-2-fluoro-6-(methylaminomethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.98515 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.99243 140.7
[M+Na]+ 255.97437 152.8
[M-H]- 231.97787 145.0
[M+NH4]+ 251.01897 161.7
[M+K]+ 271.94831 140.8
[M+H-H2O]+ 215.98241 139.7
[M+HCOO]- 277.98335 161.5
[M+CH3COO]- 291.99900 188.8
[M+Na-2H]- 253.95982 147.2
[M]+ 232.98460 157.4
[M]- 232.98570 157.4
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.