CID 53395660

2567498-61-5

Structural Information

Molecular Formula
C7H7BrFNO
SMILES
COC1=C(C=CC(=C1Br)F)N
InChI
InChI=1S/C7H7BrFNO/c1-11-7-5(10)3-2-4(9)6(7)8/h2-3H,10H2,1H3
InChIKey
STJSFBKAABBREW-UHFFFAOYSA-N
Compound name
3-bromo-4-fluoro-2-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

218.9695 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.97678 139.0
[M+Na]+ 241.95872 142.0
[M+NH4]+ 237.00332 143.6
[M+K]+ 257.93266 142.0
[M-H]- 217.96222 139.0
[M+Na-2H]- 239.94417 142.0
[M]+ 218.96895 138.2
[M]- 218.97005 138.2
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

patents stripe