CID 4143652

1-anthracen-2-yl-ethanol

Structural Information

Molecular Formula
C16H14O
SMILES
CC(C1=CC2=CC3=CC=CC=C3C=C2C=C1)O
InChI
InChI=1S/C16H14O/c1-11(17)12-6-7-15-9-13-4-2-3-5-14(13)10-16(15)8-12/h2-11,17H,1H3
InChIKey
YVHJEBTVAVRWIP-UHFFFAOYSA-N
Compound name
1-anthracen-2-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

222.10446 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.111736 147.4
[M+Na]+ 245.093678 156.7
[M-H]- 221.097184 152.1
[M+NH4]+ 240.138283 167.4
[M+K]+ 261.067618 151.6
[M+H-H2O]+ 205.101720 141.0
[M+HCOO]- 267.102661 168.4
[M+CH3COO]- 281.118311 160.5
[M+Na-2H]- 243.079126 156.2
[M]+ 222.10391142 148.4
[M]- 222.10500858 148.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe