CID 2783203

4-bromo-3-fluorobenzene-1,2-diamine

Structural Information

Molecular Formula
C6H6BrFN2
SMILES
C1=CC(=C(C(=C1N)N)F)Br
InChI
InChI=1S/C6H6BrFN2/c7-3-1-2-4(9)6(10)5(3)8/h1-2H,9-10H2
InChIKey
ZTSHEADNOHWIMO-UHFFFAOYSA-N
Compound name
4-bromo-3-fluorobenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

226
Patents

203.96983 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.97711 133.5
[M+Na]+ 226.95905 145.9
[M-H]- 202.96255 138.3
[M+NH4]+ 222.00365 155.3
[M+K]+ 242.93299 133.8
[M+H-H2O]+ 186.96709 132.0
[M+HCOO]- 248.96803 155.7
[M+CH3COO]- 262.98368 187.1
[M+Na-2H]- 224.94450 139.5
[M]+ 203.96928 147.2
[M]- 203.97038 147.2
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