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

22
Patents

271.0764 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.08368 159.9
[M+Na]+ 294.06562 167.7
[M-H]- 270.06912 165.4
[M+NH4]+ 289.11022 176.4
[M+K]+ 310.03956 161.5
[M+H-H2O]+ 254.07366 151.9
[M+HCOO]- 316.07460 174.0
[M+CH3COO]- 330.09025 171.2
[M+Na-2H]- 292.05107 164.9
[M]+ 271.07585 159.0
[M]- 271.07695 159.0
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