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 167.2
[M+Na]+ 330.04229 181.7
[M+NH4]+ 325.08689 177.1
[M+K]+ 346.01623 174.8
[M-H]- 306.04579 172.2
[M+Na-2H]- 328.02774 174.0
[M]+ 307.05252 171.4
[M]- 307.05362 171.4
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.