CID 15020155

3-bromo-5-fluoroaniline

Structural Information

Molecular Formula
C6H5BrFN
SMILES
C1=C(C=C(C=C1F)Br)N
InChI
InChI=1S/C6H5BrFN/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2
InChIKey
NGZAVSDIXFIWHJ-UHFFFAOYSA-N
Compound name
3-bromo-5-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

361
Patents

188.95894 Da
Monoisotopic Mass

2.0
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

No literature data available for this compound.

Patent stripe

patents stripe