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

1
Patents

229.97426 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.981536 141.3
[M+Na]+ 252.963478 153.0
[M-H]- 228.966984 147.8
[M+NH4]+ 248.008083 163.0
[M+K]+ 268.937418 143.3
[M+H-H2O]+ 212.971520 141.2
[M+HCOO]- 274.972461 158.9
[M+CH3COO]- 288.988111 156.4
[M+Na-2H]- 250.948926 150.1
[M]+ 229.97371142 157.6
[M]- 229.97480858 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

patents stripe