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]+ 146.060036 136.3
[M+Na]+ 168.041978 146.3
[M-H]- 144.045484 137.4
[M+NH4]+ 163.086583 154.3
[M+K]+ 184.015918 137.3
[M+H-H2O]+ 128.050020 129.5
[M+HCOO]- 190.050961 155.4
[M+CH3COO]- 204.066611 175.8
[M+Na-2H]- 166.027426 143.2
[M]+ 145.05221142 127.2
[M]- 145.05330858 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.