CID 7018040

4-bromo-2-fluoro-5-methylaniline

Structural Information

Molecular Formula
C7H7BrFN
SMILES
CC1=CC(=C(C=C1Br)F)N
InChI
InChI=1S/C7H7BrFN/c1-4-2-7(10)6(9)3-5(4)8/h2-3H,10H2,1H3
InChIKey
NBRIVALIHOZFTH-UHFFFAOYSA-N
Compound name
4-bromo-2-fluoro-5-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

293
Patents

202.9746 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.98188 135.5
[M+Na]+ 225.96382 139.0
[M+NH4]+ 221.00842 140.7
[M+K]+ 241.93776 138.5
[M-H]- 201.96732 136.0
[M+Na-2H]- 223.94927 139.1
[M]+ 202.97405 134.9
[M]- 202.97515 134.9
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

patents stripe