CID 54751763

1195949-26-8

Structural Information

Molecular Formula

C₁₆H₁₄ClNO

SMILES

C1CN([C@H](C2=CC=CC=C21)C3=CC=CC=C3)C(=O)Cl

InChI

InChI=1S/C16H14ClNO/c17-16(19)18-11-10-12-6-4-5-9-14(12)15(18)13-7-2-1-3-8-13/h1-9,15H,10-11H2/t15-/m0/s1

InChIKey

RRAXMPIDJONJNT-HNNXBMFYSA-N

Compound name

(1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 271.0764 Da
Monoisotopic Mass: 4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	272.083676	159.9
[M+Na]+	294.065618	167.7
[M-H]-	270.069124	165.4
[M+NH4]+	289.110223	176.4
[M+K]+	310.039558	161.5
[M+H-H2O]+	254.073660	151.9
[M+HCOO]-	316.074601	174.0
[M+CH3COO]-	330.090251	171.2
[M+Na-2H]-	292.051066	164.9
[M]+	271.07585142	159.0
[M]-	271.07694858	159.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe