CID 69998

825-52-5

Structural Information

Molecular Formula
C8H6N2O
SMILES
C1=CC=C(C=C1)C(=NO)C#N
InChI
InChI=1S/C8H6N2O/c9-6-8(10-11)7-4-2-1-3-5-7/h1-5,11H
InChIKey
MJCQFBKIFDVTTR-UHFFFAOYSA-N
Compound name
2-hydroxyimino-2-phenylacetonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1088
Patents

146.04802 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.05530 132.5
[M+Na]+ 169.03724 141.6
[M-H]- 145.04074 135.7
[M+NH4]+ 164.08184 151.2
[M+K]+ 185.01118 139.1
[M+H-H2O]+ 129.04528 120.1
[M+HCOO]- 191.04622 153.9
[M+CH3COO]- 205.06187 188.5
[M+Na-2H]- 167.02269 139.4
[M]+ 146.04747 126.2
[M]- 146.04857 126.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.