CID 123050

4-bromo-2-fluoroaniline

Structural Information

Molecular Formula
C6H5BrFN
SMILES
C1=CC(=C(C=C1Br)F)N
InChI
InChI=1S/C6H5BrFN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
InChIKey
GZRMNMGWNKSANY-UHFFFAOYSA-N
Compound name
4-bromo-2-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

3989
Patents

188.95894 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.966216 129.0
[M+Na]+ 211.948158 141.7
[M-H]- 187.951664 134.2
[M+NH4]+ 206.992763 152.0
[M+K]+ 227.922098 130.3
[M+H-H2O]+ 171.956200 128.5
[M+HCOO]- 233.957141 151.2
[M+CH3COO]- 247.972791 182.0
[M+Na-2H]- 209.933606 136.8
[M]+ 188.95839142 144.3
[M]- 188.95948858 144.3
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