CID 6835

2-methoxybiphenyl

Structural Information

Molecular Formula
C13H12O
SMILES
COC1=CC=CC=C1C2=CC=CC=C2
InChI
InChI=1S/C13H12O/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-10H,1H3
InChIKey
NLWCWEGVNJVLAX-UHFFFAOYSA-N
Compound name
1-methoxy-2-phenylbenzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

9
References

3553
Patents

184.08882 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.09610 137.9
[M+Na]+ 207.07804 146.0
[M-H]- 183.08154 144.9
[M+NH4]+ 202.12264 157.7
[M+K]+ 223.05198 143.0
[M+H-H2O]+ 167.08608 131.1
[M+HCOO]- 229.08702 163.0
[M+CH3COO]- 243.10267 182.3
[M+Na-2H]- 205.06349 146.0
[M]+ 184.08827 138.5
[M]- 184.08937 138.5
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