CID 24974715

1,3-dichloro-7-methylisoquinoline

Structural Information

Molecular Formula
C10H7Cl2N
SMILES
CC1=CC2=C(N=C(C=C2C=C1)Cl)Cl
InChI
InChI=1S/C10H7Cl2N/c1-6-2-3-7-5-9(11)13-10(12)8(7)4-6/h2-5H,1H3
InChIKey
BPEFMJHEHCHWPC-UHFFFAOYSA-N
Compound name
1,3-dichloro-7-methylisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

210.99556 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.00284 138.8
[M+Na]+ 233.98478 156.9
[M+NH4]+ 229.02938 149.7
[M+K]+ 249.95872 147.2
[M-H]- 209.98828 142.6
[M+Na-2H]- 231.97023 147.9
[M]+ 210.99501 143.4
[M]- 210.99611 143.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe