CID 219159

1016-09-7

Structural Information

Molecular Formula
C14H14O
SMILES
COC(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C14H14O/c1-15-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,1H3
InChIKey
IBNWKIKUJJNBKG-UHFFFAOYSA-N
Compound name
[methoxy(phenyl)methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

410
Patents

198.10446 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.11174 143.4
[M+Na]+ 221.09368 149.8
[M-H]- 197.09718 149.9
[M+NH4]+ 216.13828 162.2
[M+K]+ 237.06762 146.9
[M+H-H2O]+ 181.10172 136.2
[M+HCOO]- 243.10266 167.1
[M+CH3COO]- 257.11831 185.0
[M+Na-2H]- 219.07913 150.4
[M]+ 198.10391 143.3
[M]- 198.10501 143.3
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