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 136.3
[M+Na]+ 168.04198 146.3
[M-H]- 144.04548 137.4
[M+NH4]+ 163.08658 154.3
[M+K]+ 184.01592 137.3
[M+H-H2O]+ 128.05002 129.5
[M+HCOO]- 190.05096 155.4
[M+CH3COO]- 204.06661 175.8
[M+Na-2H]- 166.02743 143.2
[M]+ 145.05221 127.2
[M]- 145.05331 127.2
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.