CID 86042986

2,2-difluoro-1-phenylcyclopropan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H9F2N
SMILES
C1C(C1(F)F)(C2=CC=CC=C2)N
InChI
InChI=1S/C9H9F2N/c10-9(11)6-8(9,12)7-4-2-1-3-5-7/h1-5H,6,12H2
InChIKey
SYPCEZRLDFBAIM-UHFFFAOYSA-N
Compound name
2,2-difluoro-1-phenylcyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.07031 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07759 127.3
[M+Na]+ 192.05953 138.2
[M-H]- 168.06303 132.9
[M+NH4]+ 187.10413 146.3
[M+K]+ 208.03347 136.2
[M+H-H2O]+ 152.06757 121.2
[M+HCOO]- 214.06851 150.2
[M+CH3COO]- 228.08416 183.2
[M+Na-2H]- 190.04498 135.8
[M]+ 169.06976 125.9
[M]- 169.07086 125.9
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.