CID 165463824

2770359-13-0

Structural Information

Molecular Formula
C12H13F2N3O2
SMILES
C1OC2=C(O1)C=C3C(=C2)N=C(N3CC(F)F)CCN
InChI
InChI=1S/C12H13F2N3O2/c13-11(14)5-17-8-4-10-9(18-6-19-10)3-7(8)16-12(17)1-2-15/h3-4,11H,1-2,5-6,15H2
InChIKey
CJWNFLXAVVAVGE-UHFFFAOYSA-N
Compound name
2-[7-(2,2-difluoroethyl)-[1,3]dioxolo[4,5-f]benzimidazol-6-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.0976 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.10488 156.8
[M+Na]+ 292.08682 167.2
[M-H]- 268.09032 158.7
[M+NH4]+ 287.13142 173.4
[M+K]+ 308.06076 165.3
[M+H-H2O]+ 252.09486 148.6
[M+HCOO]- 314.09580 174.7
[M+CH3COO]- 328.11145 168.9
[M+Na-2H]- 290.07227 160.1
[M]+ 269.09705 158.9
[M]- 269.09815 158.9
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

No patent data available for this compound.