CID 130121707

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
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

No literature data available for this compound.

Patent stripe

patents stripe