CID 19958597

3-bromo-4,5-difluorobenzene-1,2-diamine

Structural Information

Molecular Formula
C6H5BrF2N2
SMILES
C1=C(C(=C(C(=C1F)F)Br)N)N
InChI
InChI=1S/C6H5BrF2N2/c7-4-5(9)2(8)1-3(10)6(4)11/h1H,10-11H2
InChIKey
LKNCMGLEYLDJKY-UHFFFAOYSA-N
Compound name
3-bromo-4,5-difluorobenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

221.96042 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.96770 137.1
[M+Na]+ 244.94964 150.4
[M-H]- 220.95314 140.9
[M+NH4]+ 239.99424 158.4
[M+K]+ 260.92358 137.8
[M+H-H2O]+ 204.95768 134.8
[M+HCOO]- 266.95862 158.3
[M+CH3COO]- 280.97427 190.8
[M+Na-2H]- 242.93509 141.8
[M]+ 221.95987 150.0
[M]- 221.96097 150.0
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