CID 165705489

2742656-18-2

Structural Information

Molecular Formula
C10H9F4NO2
SMILES
C1C(C(COC2=C(O1)C=CC(=C2)N)(F)F)(F)F
InChI
InChI=1S/C10H9F4NO2/c11-9(12)4-16-7-2-1-6(15)3-8(7)17-5-10(9,13)14/h1-3H,4-5,15H2
InChIKey
RLVVPDPGENUMCN-UHFFFAOYSA-N
Compound name
3,3,4,4-tetrafluoro-2,5-dihydro-1,6-benzodioxocin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.05695 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.06423 165.5
[M+Na]+ 274.04617 171.8
[M-H]- 250.04967 166.1
[M+NH4]+ 269.09077 174.0
[M+K]+ 290.02011 172.0
[M+H-H2O]+ 234.05421 160.4
[M+HCOO]- 296.05515 172.0
[M+CH3COO]- 310.07080 169.6
[M+Na-2H]- 272.03162 165.4
[M]+ 251.05640 162.7
[M]- 251.05750 162.7
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.