CID 4525777

38101-95-0

Structural Information

Molecular Formula
C17H14ClNO
SMILES
C1=CC=C2C(=C1)C=CC(=N2)CC(C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C17H14ClNO/c18-14-8-5-13(6-9-14)17(20)11-15-10-7-12-3-1-2-4-16(12)19-15/h1-10,17,20H,11H2
InChIKey
UYZFQPINNBZUER-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-quinolin-2-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.0764 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.08368 162.7
[M+Na]+ 306.06562 171.3
[M-H]- 282.06912 167.3
[M+NH4]+ 301.11022 178.1
[M+K]+ 322.03956 164.2
[M+H-H2O]+ 266.07366 154.8
[M+HCOO]- 328.07460 177.5
[M+CH3COO]- 342.09025 173.9
[M+Na-2H]- 304.05107 168.8
[M]+ 283.07585 164.0
[M]- 283.07695 164.0
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