CID 16244316

4,6-dichloro-2,3-dihydro-1h-inden-1-amine hydrochloride

Structural Information

Molecular Formula
C9H9Cl2N
SMILES
C1CC2=C(C1N)C=C(C=C2Cl)Cl
InChI
InChI=1S/C9H9Cl2N/c10-5-3-7-6(8(11)4-5)1-2-9(7)12/h3-4,9H,1-2,12H2
InChIKey
CWQMXJLBEVRHSZ-UHFFFAOYSA-N
Compound name
4,6-dichloro-2,3-dihydro-1H-inden-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

201.0112 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.018476 141.7
[M+Na]+ 224.000418 152.6
[M-H]- 200.003924 145.3
[M+NH4]+ 219.045023 165.0
[M+K]+ 239.974358 146.3
[M+H-H2O]+ 184.008460 138.2
[M+HCOO]- 246.009401 155.9
[M+CH3COO]- 260.025051 155.2
[M+Na-2H]- 221.985866 145.2
[M]+ 201.01065142 142.0
[M]- 201.01174858 142.0
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

patents stripe