CID 71619417

1403030-29-4

Structural Information

Molecular Formula
C10H10ClNO
SMILES
CN1CCC2=C(C1=O)C=C(C=C2)Cl
InChI
InChI=1S/C10H10ClNO/c1-12-5-4-7-2-3-8(11)6-9(7)10(12)13/h2-3,6H,4-5H2,1H3
InChIKey
QWMNJWPHVFKOBD-UHFFFAOYSA-N
Compound name
7-chloro-2-methyl-3,4-dihydroisoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.04509 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.05237 137.8
[M+Na]+ 218.03431 148.1
[M-H]- 194.03781 141.1
[M+NH4]+ 213.07891 158.4
[M+K]+ 234.00825 143.6
[M+H-H2O]+ 178.04235 132.3
[M+HCOO]- 240.04329 153.5
[M+CH3COO]- 254.05894 183.5
[M+Na-2H]- 216.01976 144.2
[M]+ 195.04454 138.3
[M]- 195.04564 138.3
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.