CID 67294860

1890912-98-7

Structural Information

Molecular Formula
C9H9BrFN
SMILES
C1CC1(C2=C(C=C(C=C2)Br)F)N
InChI
InChI=1S/C9H9BrFN/c10-6-1-2-7(8(11)5-6)9(12)3-4-9/h1-2,5H,3-4,12H2
InChIKey
NDHUWRXHQBUQGL-UHFFFAOYSA-N
Compound name
1-(4-bromo-2-fluorophenyl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

228.99023 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.997506 137.8
[M+Na]+ 251.979448 151.8
[M-H]- 227.982954 146.8
[M+NH4]+ 247.024053 156.5
[M+K]+ 267.953388 140.2
[M+H-H2O]+ 211.987490 137.4
[M+HCOO]- 273.988431 159.5
[M+CH3COO]- 288.004081 191.5
[M+Na-2H]- 249.964896 145.8
[M]+ 228.98968142 155.2
[M]- 228.99077858 155.2
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

patents stripe