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

5
Patents

244.9607 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.967976 139.0
[M+Na]+ 267.949918 153.6
[M-H]- 243.953424 148.9
[M+NH4]+ 262.994523 157.9
[M+K]+ 283.923858 140.7
[M+H-H2O]+ 227.957960 140.1
[M+HCOO]- 289.958901 157.4
[M+CH3COO]- 303.974551 154.5
[M+Na-2H]- 265.935366 147.2
[M]+ 244.96015142 159.1
[M]- 244.96124858 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