CID 51888252

1807939-84-9

Structural Information

Molecular Formula
C10H11F2NO
SMILES
C1[C@H]([C@@H]1N)C2=CC=C(C=C2)OC(F)F
InChI
InChI=1S/C10H11F2NO/c11-10(12)14-7-3-1-6(2-4-7)8-5-9(8)13/h1-4,8-10H,5,13H2/t8-,9+/m0/s1
InChIKey
SMNZDNYMLPJBCK-DTWKUNHWSA-N
Compound name
(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.08087 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.08815 133.5
[M+Na]+ 222.07009 143.0
[M-H]- 198.07359 138.4
[M+NH4]+ 217.11469 147.6
[M+K]+ 238.04403 139.5
[M+H-H2O]+ 182.07813 125.2
[M+HCOO]- 244.07907 155.9
[M+CH3COO]- 258.09472 190.6
[M+Na-2H]- 220.05554 137.7
[M]+ 199.08032 132.7
[M]- 199.08142 132.7
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.