CID 155821966

2503206-11-7

Structural Information

Molecular Formula
C10H15F2NO2
SMILES
COC(=O)C12CCC(CC1CNC2)(F)F
InChI
InChI=1S/C10H15F2NO2/c1-15-8(14)9-2-3-10(11,12)4-7(9)5-13-6-9/h7,13H,2-6H2,1H3
InChIKey
COAQJSLDEDTYKM-UHFFFAOYSA-N
Compound name
methyl 6,6-difluoro-2,3,4,5,7,7a-hexahydro-1H-isoindole-3a-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.10709 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.11437 147.4
[M+Na]+ 242.09631 154.3
[M-H]- 218.09981 146.0
[M+NH4]+ 237.14091 170.3
[M+K]+ 258.07025 151.6
[M+H-H2O]+ 202.10435 140.9
[M+HCOO]- 264.10529 161.1
[M+CH3COO]- 278.12094 182.5
[M+Na-2H]- 240.08176 150.4
[M]+ 219.10654 140.3
[M]- 219.10764 140.3
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.