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]+ 244.04160 151.4
[M+Na]+ 266.02354 161.5
[M+NH4]+ 261.06814 157.8
[M+K]+ 281.99748 155.7
[M-H]- 242.02704 149.6
[M+Na-2H]- 264.00899 154.6
[M]+ 243.03377 152.1
[M]- 243.03487 152.1
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.