CID 83397604

Methyl 7-fluoro-3,4-dihydro-2h-1,4-benzoxazine-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C10H10FNO3
SMILES
COC(=O)C1CNC2=C(O1)C=C(C=C2)F
InChI
InChI=1S/C10H10FNO3/c1-14-10(13)9-5-12-7-3-2-6(11)4-8(7)15-9/h2-4,9,12H,5H2,1H3
InChIKey
KROUDPWXZOTQPF-UHFFFAOYSA-N
Compound name
methyl 7-fluoro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.06447 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.07175 142.1
[M+Na]+ 234.05369 150.0
[M-H]- 210.05719 143.2
[M+NH4]+ 229.09829 158.7
[M+K]+ 250.02763 148.5
[M+H-H2O]+ 194.06173 134.6
[M+HCOO]- 256.06267 158.4
[M+CH3COO]- 270.07832 183.1
[M+Na-2H]- 232.03914 148.2
[M]+ 211.06392 140.2
[M]- 211.06502 140.2
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.