CID 125448974

Methyl 7-fluoro-1,2-benzoxazole-3-carboxylate

Structural Information

Molecular Formula
C9H6FNO3
SMILES
COC(=O)C1=NOC2=C1C=CC=C2F
InChI
InChI=1S/C9H6FNO3/c1-13-9(12)7-5-3-2-4-6(10)8(5)14-11-7/h2-4H,1H3
InChIKey
ADHFMDRKPXGAJV-UHFFFAOYSA-N
Compound name
methyl 7-fluoro-1,2-benzoxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

195.03317 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.04045 134.0
[M+Na]+ 218.02239 145.8
[M-H]- 194.02589 137.9
[M+NH4]+ 213.06699 154.2
[M+K]+ 233.99633 145.0
[M+H-H2O]+ 178.03043 127.3
[M+HCOO]- 240.03137 157.3
[M+CH3COO]- 254.04702 181.5
[M+Na-2H]- 216.00784 141.6
[M]+ 195.03262 138.7
[M]- 195.03372 138.7
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

patents stripe