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]+ 218.01340 145.3
[M+Na]+ 239.99534 156.1
[M-H]- 215.99884 149.6
[M+NH4]+ 235.03994 166.6
[M+K]+ 255.96928 151.3
[M+H-H2O]+ 200.00338 141.7
[M+HCOO]- 262.00432 158.8
[M+CH3COO]- 276.01997 158.8
[M+Na-2H]- 237.98079 149.6
[M]+ 217.00557 147.7
[M]- 217.00667 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.