CID 146099578

2649002-66-2

Structural Information

Molecular Formula
C7H10F2N2O
SMILES
C1CNCC12CC(=NO2)C(F)F
InChI
InChI=1S/C7H10F2N2O/c8-6(9)5-3-7(12-11-5)1-2-10-4-7/h6,10H,1-4H2
InChIKey
TXSNHAFQSWWHKA-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.07613 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.083406 133.6
[M+Na]+ 199.065348 140.9
[M-H]- 175.068854 133.1
[M+NH4]+ 194.109953 154.4
[M+K]+ 215.039288 140.0
[M+H-H2O]+ 159.073390 125.7
[M+HCOO]- 221.074331 149.5
[M+CH3COO]- 235.089981 145.6
[M+Na-2H]- 197.050796 136.6
[M]+ 176.07558142 126.8
[M]- 176.07667858 126.8
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.