CID 89398323

3,6-dibromo-4,5-difluorobenzene-1,2-diamine

Structural Information

Molecular Formula
C6H4Br2F2N2
SMILES
C1(=C(C(=C(C(=C1Br)F)F)Br)N)N
InChI
InChI=1S/C6H4Br2F2N2/c7-1-3(9)4(10)2(8)6(12)5(1)11/h11-12H2
InChIKey
CVQSLVCQGXUJQU-UHFFFAOYSA-N
Compound name
3,6-dibromo-4,5-difluorobenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

299.87094 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.87822 143.7
[M+Na]+ 322.86016 155.9
[M-H]- 298.86366 148.2
[M+NH4]+ 317.90476 162.1
[M+K]+ 338.83410 138.2
[M+H-H2O]+ 282.86820 148.4
[M+HCOO]- 344.86914 159.2
[M+CH3COO]- 358.88479 208.1
[M+Na-2H]- 320.84561 147.3
[M]+ 299.87039 172.7
[M]- 299.87149 172.7
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