CID 71757307

1423027-83-1

Structural Information

Molecular Formula
C10H7F2NO4
SMILES
C1=CC=C2C(=C1)N(C(=O)C(O2)(F)F)CC(=O)O
InChI
InChI=1S/C10H7F2NO4/c11-10(12)9(16)13(5-8(14)15)6-3-1-2-4-7(6)17-10/h1-4H,5H2,(H,14,15)
InChIKey
CEFGMITYUMVYAJ-UHFFFAOYSA-N
Compound name
2-(2,2-difluoro-3-oxo-1,4-benzoxazin-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.03432 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.041596 145.7
[M+Na]+ 266.023538 155.7
[M-H]- 242.027044 146.2
[M+NH4]+ 261.068143 163.0
[M+K]+ 281.997478 154.0
[M+H-H2O]+ 226.031580 138.1
[M+HCOO]- 288.032521 161.3
[M+CH3COO]- 302.048171 188.7
[M+Na-2H]- 264.008986 151.9
[M]+ 243.03377142 144.3
[M]- 243.03486858 144.3
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.