CID 215799

Brn 2145848

Structural Information

Molecular Formula
C16H16ClNO
SMILES
C1C(C(C2=CC=CC=C21)O)C(C3=CC=C(C=C3)Cl)N
InChI
InChI=1S/C16H16ClNO/c17-12-7-5-10(6-8-12)15(18)14-9-11-3-1-2-4-13(11)16(14)19/h1-8,14-16,19H,9,18H2
InChIKey
WCKAGTONKQFNQE-UHFFFAOYSA-N
Compound name
2-[amino-(4-chlorophenyl)methyl]-2,3-dihydro-1H-inden-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.09204 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.09932 161.2
[M+Na]+ 296.08126 174.9
[M+NH4]+ 291.12586 171.1
[M+K]+ 312.05520 168.5
[M-H]- 272.08476 166.4
[M+Na-2H]- 294.06671 168.3
[M]+ 273.09149 165.0
[M]- 273.09259 165.0
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.