CID 129967478

1092350-77-0

Structural Information

Molecular Formula
C9H6BrFO2
SMILES
C1COC2=C(C1=O)C=CC(=C2F)Br
InChI
InChI=1S/C9H6BrFO2/c10-6-2-1-5-7(12)3-4-13-9(5)8(6)11/h1-2H,3-4H2
InChIKey
KPAFVSLIXPVEOJ-UHFFFAOYSA-N
Compound name
7-bromo-8-fluoro-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

243.95352 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.96080 142.1
[M+Na]+ 266.94274 154.8
[M-H]- 242.94624 149.0
[M+NH4]+ 261.98734 163.3
[M+K]+ 282.91668 145.0
[M+H-H2O]+ 226.95078 142.0
[M+HCOO]- 288.95172 160.0
[M+CH3COO]- 302.96737 188.9
[M+Na-2H]- 264.92819 150.4
[M]+ 243.95297 159.5
[M]- 243.95407 159.5
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