CID 155822627

2503207-19-8

Structural Information

Molecular Formula
C7H11F2NO
SMILES
C1C2(CC1(OC2)CN)C(F)F
InChI
InChI=1S/C7H11F2NO/c8-5(9)6-1-7(2-6,3-10)11-4-6/h5H,1-4,10H2
InChIKey
SGFWTYBNMOECQH-UHFFFAOYSA-N
Compound name
[4-(difluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.08087 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.08815 139.9
[M+Na]+ 186.07009 146.4
[M-H]- 162.07359 139.1
[M+NH4]+ 181.11469 163.0
[M+K]+ 202.04403 147.9
[M+H-H2O]+ 146.07813 132.4
[M+HCOO]- 208.07907 155.3
[M+CH3COO]- 222.09472 183.9
[M+Na-2H]- 184.05554 147.4
[M]+ 163.08032 149.0
[M]- 163.08142 149.0
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.