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]+ 216.046676 140.8
[M+Na]+ 238.028618 149.7
[M-H]- 214.032124 139.6
[M+NH4]+ 233.073223 158.4
[M+K]+ 254.002558 147.3
[M+H-H2O]+ 198.036660 133.4
[M+HCOO]- 260.037601 154.8
[M+CH3COO]- 274.053251 180.6
[M+Na-2H]- 236.014066 147.5
[M]+ 215.03885142 136.0
[M]- 215.03994858 136.0
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.