CID 367135

Nsc636522

Structural Information

Molecular Formula
C14H11NO2
SMILES
C1C(=[N+](C2=CC=CC=C2O1)[O-])C3=CC=CC=C3
InChI
InChI=1S/C14H11NO2/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11/h1-9H,10H2
InChIKey
QGPSJQQNOWKCRD-UHFFFAOYSA-N
Compound name
4-oxido-3-phenyl-2H-1,4-benzoxazin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.07898 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08626 147.7
[M+Na]+ 248.06820 155.4
[M-H]- 224.07170 153.3
[M+NH4]+ 243.11280 162.8
[M+K]+ 264.04214 147.6
[M+H-H2O]+ 208.07624 144.1
[M+HCOO]- 270.07718 167.5
[M+CH3COO]- 284.09283 179.6
[M+Na-2H]- 246.05365 158.4
[M]+ 225.07843 145.0
[M]- 225.07953 145.0
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.