CID 13394

3-cyanophenol

Structural Information

Molecular Formula
C7H5NO
SMILES
C1=CC(=CC(=C1)O)C#N
InChI
InChI=1S/C7H5NO/c8-5-6-2-1-3-7(9)4-6/h1-4,9H
InChIKey
SGHBRHKBCLLVCI-UHFFFAOYSA-N
Compound name
3-hydroxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

4671
Patents

119.03712 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.044396 122.9
[M+Na]+ 142.026338 133.8
[M-H]- 118.029844 125.6
[M+NH4]+ 137.070943 142.7
[M+K]+ 158.000278 130.8
[M+H-H2O]+ 102.034380 111.7
[M+HCOO]- 164.035321 143.3
[M+CH3COO]- 178.050971 180.7
[M+Na-2H]- 140.011786 130.4
[M]+ 119.03657142 117.1
[M]- 119.03766858 117.1
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