CID 43197630

(2-chlorophenyl)(4-ethylphenyl)methanamine

Structural Information

Molecular Formula
C15H16ClN
SMILES
CCC1=CC=C(C=C1)C(C2=CC=CC=C2Cl)N
InChI
InChI=1S/C15H16ClN/c1-2-11-7-9-12(10-8-11)15(17)13-5-3-4-6-14(13)16/h3-10,15H,2,17H2,1H3
InChIKey
ZVCZYSGHYXPOLF-UHFFFAOYSA-N
Compound name
(2-chlorophenyl)-(4-ethylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.09712 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.104396 155.9
[M+Na]+ 268.086338 163.7
[M-H]- 244.089844 162.0
[M+NH4]+ 263.130943 173.7
[M+K]+ 284.060278 157.7
[M+H-H2O]+ 228.094380 149.4
[M+HCOO]- 290.095321 174.8
[M+CH3COO]- 304.110971 196.1
[M+Na-2H]- 266.071786 159.5
[M]+ 245.09657142 156.0
[M]- 245.09766858 156.0
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.