CID 113235

63451-40-1

Structural Information

Molecular Formula
C12H9N2O
SMILES
C1=CC=C(C=C1)N=C2C=CC(=N[O-])C=C2
InChI
InChI=1S/C12H10N2O/c15-14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,15H/p-1
InChIKey
PSXLSKPBVUOWMZ-UHFFFAOYSA-M
Compound name
4-N-oxido-1-N-phenylcyclohexa-2,5-diene-1,4-diimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.07149 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.07877 137.8
[M+Na]+ 220.06071 144.4
[M-H]- 196.06421 145.5
[M+NH4]+ 215.10531 156.8
[M+K]+ 236.03465 142.3
[M+H-H2O]+ 180.06875 132.2
[M+HCOO]- 242.06969 166.5
[M+CH3COO]- 256.08534 188.3
[M+Na-2H]- 218.04616 146.1
[M]+ 197.07094 135.0
[M]- 197.07204 135.0
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.