CID 83410217

3-bromo-4-chloro-2-fluoroaniline

Structural Information

Molecular Formula
C6H4BrClFN
SMILES
C1=CC(=C(C(=C1N)F)Br)Cl
InChI
InChI=1S/C6H4BrClFN/c7-5-3(8)1-2-4(10)6(5)9/h1-2H,10H2
InChIKey
NNEAPESSFSAYBJ-UHFFFAOYSA-N
Compound name
3-bromo-4-chloro-2-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

222.91997 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.927246 133.8
[M+Na]+ 245.909188 148.3
[M-H]- 221.912694 139.1
[M+NH4]+ 240.953793 156.6
[M+K]+ 261.883128 134.8
[M+H-H2O]+ 205.917230 134.2
[M+HCOO]- 267.918171 151.6
[M+CH3COO]- 281.933821 186.6
[M+Na-2H]- 243.894636 140.6
[M]+ 222.91942142 151.2
[M]- 222.92051858 151.2
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