CID 74109

(2-benzylphenyl)methanol

Structural Information

Molecular Formula
C14H14O
SMILES
C1=CC=C(C=C1)CC2=CC=CC=C2CO
InChI
InChI=1S/C14H14O/c15-11-14-9-5-4-8-13(14)10-12-6-2-1-3-7-12/h1-9,15H,10-11H2
InChIKey
GTKWHQWJTVWORA-UHFFFAOYSA-N
Compound name
(2-benzylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

156
Patents

198.10446 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.11174 143.1
[M+Na]+ 221.09368 150.3
[M-H]- 197.09718 148.5
[M+NH4]+ 216.13828 161.6
[M+K]+ 237.06762 146.0
[M+H-H2O]+ 181.10172 136.3
[M+HCOO]- 243.10266 166.3
[M+CH3COO]- 257.11831 182.6
[M+Na-2H]- 219.07913 150.1
[M]+ 198.10391 142.1
[M]- 198.10501 142.1
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