CID 155978026

2,2-difluoro-3,4-dihydro-2h-1,4-benzoxazine-7-carboxylic acid

Structural Information

Molecular Formula
C9H7F2NO3
SMILES
C1C(OC2=C(N1)C=CC(=C2)C(=O)O)(F)F
InChI
InChI=1S/C9H7F2NO3/c10-9(11)4-12-6-2-1-5(8(13)14)3-7(6)15-9/h1-3,12H,4H2,(H,13,14)
InChIKey
WCFOIBIMFZRRJD-UHFFFAOYSA-N
Compound name
2,2-difluoro-3,4-dihydro-1,4-benzoxazine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.0394 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.04668 144.5
[M+Na]+ 238.02862 154.5
[M+NH4]+ 233.07322 151.7
[M+K]+ 254.00256 148.6
[M-H]- 214.03212 143.0
[M+Na-2H]- 236.01407 148.2
[M]+ 215.03885 145.3
[M]- 215.03995 145.3
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.