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

230
Patents

203.96983 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.977106 133.5
[M+Na]+ 226.959048 145.9
[M-H]- 202.962554 138.3
[M+NH4]+ 222.003653 155.3
[M+K]+ 242.932988 133.8
[M+H-H2O]+ 186.967090 132.0
[M+HCOO]- 248.968031 155.7
[M+CH3COO]- 262.983681 187.1
[M+Na-2H]- 224.944496 139.5
[M]+ 203.96928142 147.2
[M]- 203.97037858 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