CID 155943647

7-bromo-5-fluoro-3,4-dihydro-2h-1-benzopyran

Structural Information

Molecular Formula
C9H8BrFO
SMILES
C1CC2=C(C=C(C=C2F)Br)OC1
InChI
InChI=1S/C9H8BrFO/c10-6-4-8(11)7-2-1-3-12-9(7)5-6/h4-5H,1-3H2
InChIKey
LPAHDXWJZMFDOA-UHFFFAOYSA-N
Compound name
7-bromo-5-fluoro-3,4-dihydro-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.97426 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.98154 141.3
[M+Na]+ 252.96348 153.0
[M-H]- 228.96698 147.8
[M+NH4]+ 248.00808 163.0
[M+K]+ 268.93742 143.3
[M+H-H2O]+ 212.97152 141.2
[M+HCOO]- 274.97246 158.9
[M+CH3COO]- 288.98811 156.4
[M+Na-2H]- 250.94893 150.1
[M]+ 229.97371 157.6
[M]- 229.97481 157.6
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.