CID 43810644

4,6-dichloro-1-(methylamino)-2,3-dihydro-1h-inden-2-ol hydrochloride

Structural Information

Molecular Formula
C10H11Cl2NO
SMILES
CNC1C(CC2=C1C=C(C=C2Cl)Cl)O
InChI
InChI=1S/C10H11Cl2NO/c1-13-10-7-2-5(11)3-8(12)6(7)4-9(10)14/h2-3,9-10,13-14H,4H2,1H3
InChIKey
ZBQMTJZQSAUXMK-UHFFFAOYSA-N
Compound name
4,6-dichloro-1-(methylamino)-2,3-dihydro-1H-inden-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.02177 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.02905 148.4
[M+Na]+ 254.01099 159.3
[M-H]- 230.01449 151.5
[M+NH4]+ 249.05559 170.3
[M+K]+ 269.98493 152.8
[M+H-H2O]+ 214.01903 145.2
[M+HCOO]- 276.01997 161.7
[M+CH3COO]- 290.03562 189.4
[M+Na-2H]- 251.99644 151.4
[M]+ 231.02122 150.1
[M]- 231.02232 150.1
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.