CID 21161229

4-bromo-2-fluoro-n-methylaniline

Structural Information

Molecular Formula
C7H7BrFN
SMILES
CNC1=C(C=C(C=C1)Br)F
InChI
InChI=1S/C7H7BrFN/c1-10-7-3-2-5(8)4-6(7)9/h2-4,10H,1H3
InChIKey
HGNONAHZRMPHON-UHFFFAOYSA-N
Compound name
4-bromo-2-fluoro-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

202.9746 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.98188 132.7
[M+Na]+ 225.96382 145.0
[M-H]- 201.96732 138.3
[M+NH4]+ 221.00842 155.4
[M+K]+ 241.93776 133.7
[M+H-H2O]+ 185.97186 132.0
[M+HCOO]- 247.97280 155.2
[M+CH3COO]- 261.98845 185.4
[M+Na-2H]- 223.94927 141.0
[M]+ 202.97405 149.3
[M]- 202.97515 149.3
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