CID 3088249

2-((4-chlorophenyl)hydroxymethyl)-3-benzofurancarbonitrile

Structural Information

Molecular Formula
C16H10ClNO2
SMILES
C1=CC=C2C(=C1)C(=C(O2)C(C3=CC=C(C=C3)Cl)O)C#N
InChI
InChI=1S/C16H10ClNO2/c17-11-7-5-10(6-8-11)15(19)16-13(9-18)12-3-1-2-4-14(12)20-16/h1-8,15,19H
InChIKey
GICXNOKADOQSSN-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)-hydroxymethyl]-1-benzofuran-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.04 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.04728 168.6
[M+Na]+ 306.02922 182.4
[M-H]- 282.03272 174.6
[M+NH4]+ 301.07382 184.5
[M+K]+ 322.00316 174.1
[M+H-H2O]+ 266.03726 156.2
[M+HCOO]- 328.03820 183.4
[M+CH3COO]- 342.05385 180.0
[M+Na-2H]- 304.01467 172.2
[M]+ 283.03945 168.0
[M]- 283.04055 168.0
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

No patent data available for this compound.