CID 215779

Brn 2146185

Structural Information

Molecular Formula
C16H15Cl2NO
SMILES
C1C(C(C2=CC=CC=C21)O)C(C3=C(C=C(C=C3)Cl)Cl)N
InChI
InChI=1S/C16H15Cl2NO/c17-10-5-6-12(14(18)8-10)15(19)13-7-9-3-1-2-4-11(9)16(13)20/h1-6,8,13,15-16,20H,7,19H2
InChIKey
WNSUUQMTIZZUNF-UHFFFAOYSA-N
Compound name
2-[amino-(2,4-dichlorophenyl)methyl]-2,3-dihydro-1H-inden-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.05307 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.06035 169.9
[M+Na]+ 330.04229 179.3
[M-H]- 306.04579 175.3
[M+NH4]+ 325.08689 188.1
[M+K]+ 346.01623 171.4
[M+H-H2O]+ 290.05033 165.0
[M+HCOO]- 352.05127 181.2
[M+CH3COO]- 366.06692 181.0
[M+Na-2H]- 328.02774 169.9
[M]+ 307.05252 170.4
[M]- 307.05362 170.4
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.