CID 22660967

1909316-10-4

Structural Information

Molecular Formula
C9H9F2NO2
SMILES
CNCC1=CC2=C(C=C1)OC(O2)(F)F
InChI
InChI=1S/C9H9F2NO2/c1-12-5-6-2-3-7-8(4-6)14-9(10,11)13-7/h2-4,12H,5H2,1H3
InChIKey
BMEVBYJXKNWWJF-UHFFFAOYSA-N
Compound name
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

201.06013 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.067406 136.6
[M+Na]+ 224.049348 146.6
[M-H]- 200.052854 140.4
[M+NH4]+ 219.093953 158.1
[M+K]+ 240.023288 146.2
[M+H-H2O]+ 184.057390 130.3
[M+HCOO]- 246.058331 157.8
[M+CH3COO]- 260.073981 185.3
[M+Na-2H]- 222.034796 145.3
[M]+ 201.05958142 136.9
[M]- 201.06067858 136.9
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

patents stripe