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]+ 260.12004 160.4
[M+Na]+ 282.10198 167.5
[M-H]- 258.10548 166.4
[M+NH4]+ 277.14658 177.6
[M+K]+ 298.07592 161.8
[M+H-H2O]+ 242.11002 153.9
[M+HCOO]- 304.11096 178.0
[M+CH3COO]- 318.12661 200.0
[M+Na-2H]- 280.08743 162.3
[M]+ 259.11221 160.3
[M]- 259.11331 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.