CID 17039670

948291-36-9

Structural Information

Molecular Formula
C11H7Cl2NO
SMILES
CC1=C2C(=C(C=C1)Cl)C=C(C(=N2)Cl)C=O
InChI
InChI=1S/C11H7Cl2NO/c1-6-2-3-9(12)8-4-7(5-15)11(13)14-10(6)8/h2-5H,1H3
InChIKey
MZAQCBDOHHPKOV-UHFFFAOYSA-N
Compound name
2,5-dichloro-8-methylquinoline-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.99046 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.99774 144.8
[M+Na]+ 261.97968 157.9
[M-H]- 237.98318 148.1
[M+NH4]+ 257.02428 164.4
[M+K]+ 277.95362 151.6
[M+H-H2O]+ 221.98772 139.9
[M+HCOO]- 283.98866 157.9
[M+CH3COO]- 298.00431 191.6
[M+Na-2H]- 259.96513 151.1
[M]+ 238.98991 150.1
[M]- 238.99101 150.1
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.