CID 6995678

(2s)-1,1-diphenylpropan-2-ol

Structural Information

Molecular Formula
C15H16O
SMILES
C[C@@H](C(C1=CC=CC=C1)C2=CC=CC=C2)O
InChI
InChI=1S/C15H16O/c1-12(16)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15-16H,1H3/t12-/m0/s1
InChIKey
BDZAWYBXBHTHFM-LBPRGKRZSA-N
Compound name
(2S)-1,1-diphenylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

212.12012 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.12740 148.6
[M+Na]+ 235.10934 153.8
[M-H]- 211.11284 153.5
[M+NH4]+ 230.15394 166.0
[M+K]+ 251.08328 150.2
[M+H-H2O]+ 195.11738 141.6
[M+HCOO]- 257.11832 169.4
[M+CH3COO]- 271.13397 186.2
[M+Na-2H]- 233.09479 153.3
[M]+ 212.11957 146.3
[M]- 212.12067 146.3
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