CID 55275887

2377004-23-2

Structural Information

Molecular Formula
C10H11F2NO
SMILES
C1CC2=C([C@@H]1N)C=C(C=C2)OC(F)F
InChI
InChI=1S/C10H11F2NO/c11-10(12)14-7-3-1-6-2-4-9(13)8(6)5-7/h1,3,5,9-10H,2,4,13H2/t9-/m1/s1
InChIKey
HSESMZJIQAZLAC-SECBINFHSA-N
Compound name
(1R)-6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.08087 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.08815 139.1
[M+Na]+ 222.07009 147.2
[M-H]- 198.07359 140.7
[M+NH4]+ 217.11469 160.8
[M+K]+ 238.04403 144.2
[M+H-H2O]+ 182.07813 131.9
[M+HCOO]- 244.07907 160.0
[M+CH3COO]- 258.09472 186.8
[M+Na-2H]- 220.05554 142.0
[M]+ 199.08032 135.0
[M]- 199.08142 135.0
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.