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

16
Patents

221.96042 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.967696 137.1
[M+Na]+ 244.949638 150.4
[M-H]- 220.953144 140.9
[M+NH4]+ 239.994243 158.4
[M+K]+ 260.923578 137.8
[M+H-H2O]+ 204.957680 134.8
[M+HCOO]- 266.958621 158.3
[M+CH3COO]- 280.974271 190.8
[M+Na-2H]- 242.935086 141.8
[M]+ 221.95987142 150.0
[M]- 221.96096858 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