CID 131232451

4-[(e)-2-isocyanoethenyl]phenol

Structural Information

Molecular Formula
C9H7NO
SMILES
[C-]#[N+]/C=C/C1=CC=C(C=C1)O
InChI
InChI=1S/C9H7NO/c1-10-7-6-8-2-4-9(11)5-3-8/h2-7,11H/b7-6+
InChIKey
DPQRSJXKWWAJGK-VOTSOKGWSA-N
Compound name
4-[(E)-2-isocyanoethenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

145.05276 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.06004 130.9
[M+Na]+ 168.04198 144.7
[M+NH4]+ 163.08658 136.5
[M+K]+ 184.01592 136.3
[M-H]- 144.04548 126.7
[M+Na-2H]- 166.02743 135.3
[M]+ 145.05221 130.8
[M]- 145.05331 130.8
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

No patent data available for this compound.