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

24
Patents

201.06013 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.06741 136.6
[M+Na]+ 224.04935 146.6
[M-H]- 200.05285 140.4
[M+NH4]+ 219.09395 158.1
[M+K]+ 240.02329 146.2
[M+H-H2O]+ 184.05739 130.3
[M+HCOO]- 246.05833 157.8
[M+CH3COO]- 260.07398 185.3
[M+Na-2H]- 222.03480 145.3
[M]+ 201.05958 136.9
[M]- 201.06068 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