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
3
Annotation Hits

0
References

1090
Patents

146.04802 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.055296 132.5
[M+Na]+ 169.037238 141.6
[M-H]- 145.040744 135.7
[M+NH4]+ 164.081843 151.2
[M+K]+ 185.011178 139.1
[M+H-H2O]+ 129.045280 120.1
[M+HCOO]- 191.046221 153.9
[M+CH3COO]- 205.061871 188.5
[M+Na-2H]- 167.022686 139.4
[M]+ 146.04747142 126.2
[M]- 146.04856858 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

literature stripe

Patent stripe

patents stripe