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 145.7
[M+Na]+ 266.02354 155.7
[M-H]- 242.02704 146.2
[M+NH4]+ 261.06814 163.0
[M+K]+ 281.99748 154.0
[M+H-H2O]+ 226.03158 138.1
[M+HCOO]- 288.03252 161.3
[M+CH3COO]- 302.04817 188.7
[M+Na-2H]- 264.00899 151.9
[M]+ 243.03377 144.3
[M]- 243.03487 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.