CID 3530992

3-isocyanato-4-methoxybiphenyl

Structural Information

Molecular Formula

C₁₄H₁₁NO₂

SMILES

COC1=C(C=C(C=C1)C2=CC=CC=C2)N=C=O

InChI

InChI=1S/C14H11NO2/c1-17-14-8-7-12(9-13(14)15-10-16)11-5-3-2-4-6-11/h2-9H,1H3

InChIKey

HVVGPDSYJRMTFV-UHFFFAOYSA-N

Compound name

2-isocyanato-1-methoxy-4-phenylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 225.07898 Da
Monoisotopic Mass: 4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	226.08626	149.2
[M+Na]+	248.06820	164.5
[M+NH4]+	243.11280	158.1
[M+K]+	264.04214	156.0
[M-H]-	224.07170	154.8
[M+Na-2H]-	246.05365	159.8
[M]+	225.07843	153.0
[M]-	225.07953	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe