CID 13591069

1,2,3,4-tetrahydroquinoline-1-carbonyl chloride

Structural Information

Molecular Formula
C10H10ClNO
SMILES
C1CC2=CC=CC=C2N(C1)C(=O)Cl
InChI
InChI=1S/C10H10ClNO/c11-10(13)12-7-3-5-8-4-1-2-6-9(8)12/h1-2,4,6H,3,5,7H2
InChIKey
KRGMMKVSHXVQCM-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-quinoline-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

195.04509 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.05237 138.3
[M+Na]+ 218.03431 146.4
[M-H]- 194.03781 140.9
[M+NH4]+ 213.07891 158.2
[M+K]+ 234.00825 142.4
[M+H-H2O]+ 178.04235 132.4
[M+HCOO]- 240.04329 153.1
[M+CH3COO]- 254.05894 181.4
[M+Na-2H]- 216.01976 144.9
[M]+ 195.04454 137.4
[M]- 195.04564 137.4
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