CID 36421

33357-28-7

Structural Information

Molecular Formula
C9H9Cl2NO
SMILES
C1C(OC2=C1C=C(C=C2Cl)Cl)CN
InChI
InChI=1S/C9H9Cl2NO/c10-6-1-5-2-7(4-12)13-9(5)8(11)3-6/h1,3,7H,2,4,12H2
InChIKey
ZBQZTPJURPAGDG-UHFFFAOYSA-N
Compound name
(5,7-dichloro-2,3-dihydro-1-benzofuran-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.00612 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.013396 145.3
[M+Na]+ 239.995338 156.1
[M-H]- 215.998844 149.6
[M+NH4]+ 235.039943 166.6
[M+K]+ 255.969278 151.3
[M+H-H2O]+ 200.003380 141.7
[M+HCOO]- 262.004321 158.8
[M+CH3COO]- 276.019971 158.8
[M+Na-2H]- 237.980786 149.6
[M]+ 217.00557142 147.7
[M]- 217.00666858 147.7
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.