CID 146349549

4,5-difluoro-3-iodobenzene-1,2-diamine

Structural Information

Molecular Formula
C6H5F2IN2
SMILES
C1=C(C(=C(C(=C1F)F)I)N)N
InChI
InChI=1S/C6H5F2IN2/c7-2-1-3(10)6(11)5(9)4(2)8/h1H,10-11H2
InChIKey
CJSJVHOBLBGQGL-UHFFFAOYSA-N
Compound name
4,5-difluoro-3-iodobenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

269.94656 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.95384 141.2
[M+Na]+ 292.93578 144.4
[M-H]- 268.93928 135.7
[M+NH4]+ 287.98038 156.6
[M+K]+ 308.90972 147.1
[M+H-H2O]+ 252.94382 130.6
[M+HCOO]- 314.94476 159.7
[M+CH3COO]- 328.96041 192.1
[M+Na-2H]- 290.92123 132.4
[M]+ 269.94601 133.4
[M]- 269.94711 133.4
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