CID 9834068

220352-38-5

Structural Information

Molecular Formula
C9H9F2N
SMILES
C1[C@H]([C@@H]1N)C2=CC(=C(C=C2)F)F
InChI
InChI=1S/C9H9F2N/c10-7-2-1-5(3-8(7)11)6-4-9(6)12/h1-3,6,9H,4,12H2/t6-,9+/m0/s1
InChIKey
QVUBIQNXHRPJKK-IMTBSYHQSA-N
Compound name
(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

436
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 125.4
[M+Na]+ 192.05953 136.6
[M-H]- 168.06303 130.9
[M+NH4]+ 187.10413 141.2
[M+K]+ 208.03347 132.5
[M+H-H2O]+ 152.06757 117.7
[M+HCOO]- 214.06851 148.9
[M+CH3COO]- 228.08416 186.0
[M+Na-2H]- 190.04498 130.7
[M]+ 169.06976 123.8
[M]- 169.07086 123.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe