CID 129954263

1-(4-bromo-3-chlorophenyl)cyclopropan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H9BrClN
SMILES
C1CC1(C2=CC(=C(C=C2)Br)Cl)N
InChI
InChI=1S/C9H9BrClN/c10-7-2-1-6(5-8(7)11)9(12)3-4-9/h1-2,5H,3-4,12H2
InChIKey
KHCULTNETQYKJN-UHFFFAOYSA-N
Compound name
1-(4-bromo-3-chlorophenyl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

244.9607 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.96798 139.0
[M+Na]+ 267.94992 153.6
[M-H]- 243.95342 148.9
[M+NH4]+ 262.99452 157.9
[M+K]+ 283.92386 140.7
[M+H-H2O]+ 227.95796 140.1
[M+HCOO]- 289.95890 157.4
[M+CH3COO]- 303.97455 154.5
[M+Na-2H]- 265.93537 147.2
[M]+ 244.96015 159.1
[M]- 244.96125 159.1
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