CID 50998079

2-bromo-4-chloro-5-fluoroaniline

Structural Information

Molecular Formula
C6H4BrClFN
SMILES
C1=C(C(=CC(=C1F)Cl)Br)N
InChI
InChI=1S/C6H4BrClFN/c7-3-1-4(8)5(9)2-6(3)10/h1-2H,10H2
InChIKey
ZPMKGKUWDFEBFB-UHFFFAOYSA-N
Compound name
2-bromo-4-chloro-5-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

222.91997 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.92725 133.8
[M+Na]+ 245.90919 148.3
[M-H]- 221.91269 139.1
[M+NH4]+ 240.95379 156.6
[M+K]+ 261.88313 134.8
[M+H-H2O]+ 205.91723 134.2
[M+HCOO]- 267.91817 151.6
[M+CH3COO]- 281.93382 186.6
[M+Na-2H]- 243.89464 140.6
[M]+ 222.91942 151.2
[M]- 222.92052 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