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

379
Patents

188.95894 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.96622 129.0
[M+Na]+ 211.94816 141.7
[M-H]- 187.95166 134.2
[M+NH4]+ 206.99276 152.0
[M+K]+ 227.92210 130.3
[M+H-H2O]+ 171.95620 128.5
[M+HCOO]- 233.95714 151.2
[M+CH3COO]- 247.97279 182.0
[M+Na-2H]- 209.93361 136.8
[M]+ 188.95839 144.3
[M]- 188.95949 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