CID 165737718

2742657-88-9

Structural Information

Molecular Formula
C11H11F4NO2
SMILES
C1C(C(COC2=C(O1)C=CC(=C2)CN)(F)F)(F)F
InChI
InChI=1S/C11H11F4NO2/c12-10(13)5-17-8-2-1-7(4-16)3-9(8)18-6-11(10,14)15/h1-3H,4-6,16H2
InChIKey
QXZNZESLTDJELV-UHFFFAOYSA-N
Compound name
(3,3,4,4-tetrafluoro-2,5-dihydro-1,6-benzodioxocin-8-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.0726 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.07988 167.8
[M+Na]+ 288.06182 174.0
[M-H]- 264.06532 168.3
[M+NH4]+ 283.10642 176.1
[M+K]+ 304.03576 174.1
[M+H-H2O]+ 248.06986 162.6
[M+HCOO]- 310.07080 174.1
[M+CH3COO]- 324.08645 228.3
[M+Na-2H]- 286.04727 167.5
[M]+ 265.07205 165.2
[M]- 265.07315 165.2
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.