CID 55283150

1956364-50-3

Structural Information

Molecular Formula

C₇H₁₁F₂N

SMILES

C1[C@@H]2CNC[C@@H]2CC1(F)F

InChI

InChI=1S/C7H11F2N/c8-7(9)1-5-3-10-4-6(5)2-7/h5-6,10H,1-4H2/t5-,6+

InChIKey

HQFKSNZDIHXZME-OLQVQODUSA-N

Compound name

(3aS,6aR)-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 147.08595 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	148.09323	129.0
[M+Na]+	170.07517	137.0
[M-H]-	146.07867	128.0
[M+NH4]+	165.11977	154.7
[M+K]+	186.04911	134.2
[M+H-H2O]+	130.08321	122.6
[M+HCOO]-	192.08415	146.4
[M+CH3COO]-	206.09980	141.7
[M+Na-2H]-	168.06062	132.0
[M]+	147.08540	121.2
[M]-	147.08650	121.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe