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]+ 229.99751 137.8
[M+Na]+ 251.97945 151.8
[M-H]- 227.98295 146.8
[M+NH4]+ 247.02405 156.5
[M+K]+ 267.95339 140.2
[M+H-H2O]+ 211.98749 137.4
[M+HCOO]- 273.98843 159.5
[M+CH3COO]- 288.00408 191.5
[M+Na-2H]- 249.96490 145.8
[M]+ 228.98968 155.2
[M]- 228.99078 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