CID 19213

3604-99-7

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

68
Patents

210.99556 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.002836 139.9
[M+Na]+ 233.984778 151.6
[M-H]- 209.988284 143.9
[M+NH4]+ 229.029383 161.2
[M+K]+ 249.958718 145.0
[M+H-H2O]+ 193.992820 136.1
[M+HCOO]- 255.993761 154.7
[M+CH3COO]- 270.009411 153.7
[M+Na-2H]- 231.970226 146.6
[M]+ 210.99501142 141.7
[M]- 210.99610858 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