CID 155971340

Methyl 7-bromo-6-fluoro-3,4-dihydro-2h-1-benzopyran-2-carboxylate

Structural Information

Molecular Formula
C11H10BrFO3
SMILES
COC(=O)C1CCC2=CC(=C(C=C2O1)Br)F
InChI
InChI=1S/C11H10BrFO3/c1-15-11(14)9-3-2-6-4-8(13)7(12)5-10(6)16-9/h4-5,9H,2-3H2,1H3
InChIKey
DJSDDCNNIWFUIA-UHFFFAOYSA-N
Compound name
methyl 7-bromo-6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.97974 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.98702 155.0
[M+Na]+ 310.96896 166.4
[M-H]- 286.97246 161.5
[M+NH4]+ 306.01356 174.4
[M+K]+ 326.94290 157.1
[M+H-H2O]+ 270.97700 154.2
[M+HCOO]- 332.97794 171.4
[M+CH3COO]- 346.99359 196.7
[M+Na-2H]- 308.95441 161.0
[M]+ 287.97919 173.6
[M]- 287.98029 173.6
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.