CID 59299257

6-bromo-2-fluoro-3-methylphenol

Structural Information

Molecular Formula
C7H6BrFO
SMILES
CC1=C(C(=C(C=C1)Br)O)F
InChI
InChI=1S/C7H6BrFO/c1-4-2-3-5(8)7(10)6(4)9/h2-3,10H,1H3
InChIKey
JUYXSZKVQBFLEX-UHFFFAOYSA-N
Compound name
6-bromo-2-fluoro-3-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

203.9586 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.96588 131.7
[M+Na]+ 226.94782 145.3
[M-H]- 202.95132 136.5
[M+NH4]+ 221.99242 154.4
[M+K]+ 242.92176 134.0
[M+H-H2O]+ 186.95586 132.0
[M+HCOO]- 248.95680 152.1
[M+CH3COO]- 262.97245 181.5
[M+Na-2H]- 224.93327 138.7
[M]+ 203.95805 149.0
[M]- 203.95915 149.0
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

patents stripe