CID 343519

Nsc382980

Structural Information

Molecular Formula
C8H6FNO3
SMILES
C1=CC2=C(C(NC(=O)O2)O)C(=C1)F
InChI
InChI=1S/C8H6FNO3/c9-4-2-1-3-5-6(4)7(11)10-8(12)13-5/h1-3,7,11H,(H,10,12)
InChIKey
YZGCYQLVTCYORX-UHFFFAOYSA-N
Compound name
5-fluoro-4-hydroxy-3,4-dihydro-1,3-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.03317 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.04045 133.0
[M+Na]+ 206.02239 142.6
[M-H]- 182.02589 133.4
[M+NH4]+ 201.06699 150.3
[M+K]+ 221.99633 140.1
[M+H-H2O]+ 166.03043 126.3
[M+HCOO]- 228.03137 149.4
[M+CH3COO]- 242.04702 175.6
[M+Na-2H]- 204.00784 140.2
[M]+ 183.03262 129.7
[M]- 183.03372 129.7
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.