CID 33746508

2,5-dichloro-7,8-dihydroquinoline

Structural Information

Molecular Formula
C9H7Cl2N
SMILES
C1CC2=C(C=CC(=N2)Cl)C(=C1)Cl
InChI
InChI=1S/C9H7Cl2N/c10-7-2-1-3-8-6(7)4-5-9(11)12-8/h2,4-5H,1,3H2
InChIKey
MABZTGKFHCYPCB-UHFFFAOYSA-N
Compound name
2,5-dichloro-7,8-dihydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.99556 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.00284 135.6
[M+Na]+ 221.98478 146.5
[M-H]- 197.98828 138.1
[M+NH4]+ 217.02938 156.2
[M+K]+ 237.95872 140.8
[M+H-H2O]+ 181.99282 130.6
[M+HCOO]- 243.99376 147.5
[M+CH3COO]- 258.00941 149.0
[M+Na-2H]- 219.97023 143.4
[M]+ 198.99501 137.2
[M]- 198.99611 137.2
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.