CID 84706806

1780790-68-2

Structural Information

Molecular Formula
C9H7BrF2O
SMILES
C1COC2=C(C1(F)F)C=CC=C2Br
InChI
InChI=1S/C9H7BrF2O/c10-7-3-1-2-6-8(7)13-5-4-9(6,11)12/h1-3H,4-5H2
InChIKey
BKZCKCUDUJPZBR-UHFFFAOYSA-N
Compound name
8-bromo-4,4-difluoro-2,3-dihydrochromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

247.96483 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.972106 144.2
[M+Na]+ 270.954048 156.8
[M-H]- 246.957554 149.8
[M+NH4]+ 265.998653 167.0
[M+K]+ 286.927988 146.9
[M+H-H2O]+ 230.962090 143.8
[M+HCOO]- 292.963031 160.8
[M+CH3COO]- 306.978681 159.1
[M+Na-2H]- 268.939496 153.4
[M]+ 247.96428142 159.8
[M]- 247.96537858 159.8
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