CID 116517326

(3-chlorophenyl)(2-phenylcyclopropyl)methanamine hydrochloride

Structural Information

Molecular Formula
C16H16ClN
SMILES
C1C(C1C(C2=CC(=CC=C2)Cl)N)C3=CC=CC=C3
InChI
InChI=1S/C16H16ClN/c17-13-8-4-7-12(9-13)16(18)15-10-14(15)11-5-2-1-3-6-11/h1-9,14-16H,10,18H2
InChIKey
QIRXEPNQCQXUFH-UHFFFAOYSA-N
Compound name
(3-chlorophenyl)-(2-phenylcyclopropyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.09714 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.10442 150.3
[M+Na]+ 280.08636 159.2
[M-H]- 256.08986 159.7
[M+NH4]+ 275.13096 162.7
[M+K]+ 296.06030 153.1
[M+H-H2O]+ 240.09440 143.4
[M+HCOO]- 302.09534 169.9
[M+CH3COO]- 316.11099 162.5
[M+Na-2H]- 278.07181 154.6
[M]+ 257.09659 151.9
[M]- 257.09769 151.9
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.