CID 69031

1,1-diphenylethanol

Structural Information

Molecular Formula
C14H14O
SMILES
CC(C1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C14H14O/c1-14(15,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,15H,1H3
InChIKey
GIMDPFBLSKQRNP-UHFFFAOYSA-N
Compound name
1,1-diphenylethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

1560
Patents

198.10446 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.11174 143.5
[M+Na]+ 221.09368 150.2
[M-H]- 197.09718 148.8
[M+NH4]+ 216.13828 161.8
[M+K]+ 237.06762 146.4
[M+H-H2O]+ 181.10172 137.2
[M+HCOO]- 243.10266 165.1
[M+CH3COO]- 257.11831 181.9
[M+Na-2H]- 219.07913 151.9
[M]+ 198.10391 141.7
[M]- 198.10501 141.7
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