CID 138032113

2243510-45-2

Structural Information

Molecular Formula
C16H18ClN
SMILES
CC(C)C1=CC(=CC=C1)C(C2=CC=C(C=C2)Cl)N
InChI
InChI=1S/C16H18ClN/c1-11(2)13-4-3-5-14(10-13)16(18)12-6-8-15(17)9-7-12/h3-11,16H,18H2,1-2H3
InChIKey
PWCSPKOOTFOLAC-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-(3-propan-2-ylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.11276 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.120036 160.4
[M+Na]+ 282.101978 167.5
[M-H]- 258.105484 166.4
[M+NH4]+ 277.146583 177.6
[M+K]+ 298.075918 161.8
[M+H-H2O]+ 242.110020 153.9
[M+HCOO]- 304.110961 178.0
[M+CH3COO]- 318.126611 200.0
[M+Na-2H]- 280.087426 162.3
[M]+ 259.11221142 160.3
[M]- 259.11330858 160.3
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.