CID 117541

Ether, phenyl 3,5-xylyl

Structural Information

Molecular Formula
C14H14O
SMILES
CC1=CC(=CC(=C1)OC2=CC=CC=C2)C
InChI
InChI=1S/C14H14O/c1-11-8-12(2)10-14(9-11)15-13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKey
AQPZTEIAYGPWGS-UHFFFAOYSA-N
Compound name
1,3-dimethyl-5-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

162
Patents

198.10446 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.11174 142.1
[M+Na]+ 221.09368 150.7
[M-H]- 197.09718 149.4
[M+NH4]+ 216.13828 161.7
[M+K]+ 237.06762 147.5
[M+H-H2O]+ 181.10172 135.3
[M+HCOO]- 243.10266 166.9
[M+CH3COO]- 257.11831 186.4
[M+Na-2H]- 219.07913 149.0
[M]+ 198.10391 143.5
[M]- 198.10501 143.5
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