CID 155820612

5,7-dichloro-2-nitroso-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula
C9H8Cl2N2O
SMILES
C1CN(CC2=C1C(=CC(=C2)Cl)Cl)N=O
InChI
InChI=1S/C9H8Cl2N2O/c10-7-3-6-5-13(12-14)2-1-8(6)9(11)4-7/h3-4H,1-2,5H2
InChIKey
NPPJIAUTFPOHJD-UHFFFAOYSA-N
Compound name
5,7-dichloro-2-nitroso-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.00137 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.00865 144.0
[M+Na]+ 252.99059 154.4
[M-H]- 228.99409 147.7
[M+NH4]+ 248.03519 163.7
[M+K]+ 268.96453 149.7
[M+H-H2O]+ 212.99863 138.4
[M+HCOO]- 274.99957 157.3
[M+CH3COO]- 289.01522 192.5
[M+Na-2H]- 250.97604 150.7
[M]+ 230.00082 146.4
[M]- 230.00192 146.4
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.