CID 19213

5,8-dichloronaphthalen-1-amine

Structural Information

Molecular Formula
C10H7Cl2N
SMILES
C1=CC2=C(C=CC(=C2C(=C1)N)Cl)Cl
InChI
InChI=1S/C10H7Cl2N/c11-7-4-5-8(12)10-6(7)2-1-3-9(10)13/h1-5H,13H2
InChIKey
XRUHWPCWXZKWDO-UHFFFAOYSA-N
Compound name
5,8-dichloronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

210.99556 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.00284 139.9
[M+Na]+ 233.98478 151.6
[M-H]- 209.98828 143.9
[M+NH4]+ 229.02938 161.2
[M+K]+ 249.95872 145.0
[M+H-H2O]+ 193.99282 136.1
[M+HCOO]- 255.99376 154.7
[M+CH3COO]- 270.00941 153.7
[M+Na-2H]- 231.97023 146.6
[M]+ 210.99501 141.7
[M]- 210.99611 141.7
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

patents stripe