CID 83409858

2247103-66-6

Structural Information

Molecular Formula
C6H4BrClFN
SMILES
C1=CC(=C(C(=C1Cl)F)N)Br
InChI
InChI=1S/C6H4BrClFN/c7-3-1-2-4(8)5(9)6(3)10/h1-2H,10H2
InChIKey
WXCVUVYFQQVECG-UHFFFAOYSA-N
Compound name
6-bromo-3-chloro-2-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
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

No literature data available for this compound.

Patent stripe

patents stripe