CID 509069

2-methylbenzo[f][1,3]benzoxazole-4,9-dione

Structural Information

Molecular Formula
C12H7NO3
SMILES
CC1=NC2=C(O1)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C12H7NO3/c1-6-13-9-10(14)7-4-2-3-5-8(7)11(15)12(9)16-6/h2-5H,1H3
InChIKey
LITUYNXDDUJZRJ-UHFFFAOYSA-N
Compound name
2-methylbenzo[f][1,3]benzoxazole-4,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

213.04259 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.04987 140.9
[M+Na]+ 236.03181 153.0
[M-H]- 212.03531 146.8
[M+NH4]+ 231.07641 161.5
[M+K]+ 252.00575 150.4
[M+H-H2O]+ 196.03985 135.0
[M+HCOO]- 258.04079 162.3
[M+CH3COO]- 272.05644 155.6
[M+Na-2H]- 234.01726 148.1
[M]+ 213.04204 144.4
[M]- 213.04314 144.4
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

patents stripe