CID 43155020

1803607-13-7

Structural Information

Molecular Formula
C9H9Cl2NO
SMILES
C1COC2=C(C1N)C=CC(=C2Cl)Cl
InChI
InChI=1S/C9H9Cl2NO/c10-6-2-1-5-7(12)3-4-13-9(5)8(6)11/h1-2,7H,3-4,12H2
InChIKey
WUGRPYNFTPEPAC-UHFFFAOYSA-N
Compound name
7,8-dichloro-3,4-dihydro-2H-chromen-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.00612 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.013396 142.8
[M+Na]+ 239.995338 152.8
[M-H]- 215.998844 146.9
[M+NH4]+ 235.039943 162.4
[M+K]+ 255.969278 148.3
[M+H-H2O]+ 200.003380 138.9
[M+HCOO]- 262.004321 154.3
[M+CH3COO]- 276.019971 155.7
[M+Na-2H]- 237.980786 148.8
[M]+ 217.00557142 143.4
[M]- 217.00666858 143.4
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.