CID 12326337

4-chloro-2,5,7-trimethylquinoline

Structural Information

Molecular Formula
C12H12ClN
SMILES
CC1=CC(=C2C(=C1)N=C(C=C2Cl)C)C
InChI
InChI=1S/C12H12ClN/c1-7-4-8(2)12-10(13)6-9(3)14-11(12)5-7/h4-6H,1-3H3
InChIKey
IQBVBMMNGRIPEI-UHFFFAOYSA-N
Compound name
4-chloro-2,5,7-trimethylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

205.06583 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.073106 141.5
[M+Na]+ 228.055048 153.7
[M-H]- 204.058554 145.4
[M+NH4]+ 223.099653 162.3
[M+K]+ 244.028988 148.4
[M+H-H2O]+ 188.063090 135.9
[M+HCOO]- 250.064031 159.0
[M+CH3COO]- 264.079681 155.7
[M+Na-2H]- 226.040496 148.1
[M]+ 205.06528142 145.3
[M]- 205.06637858 145.3
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

patents stripe