CID 83853740

4,4-difluoro-3,4-dihydro-2h-1-benzopyran-6-carbaldehyde

Structural Information

Molecular Formula
C10H8F2O2
SMILES
C1COC2=C(C1(F)F)C=C(C=C2)C=O
InChI
InChI=1S/C10H8F2O2/c11-10(12)3-4-14-9-2-1-7(6-13)5-8(9)10/h1-2,5-6H,3-4H2
InChIKey
PHGQVCCDCPBQQL-UHFFFAOYSA-N
Compound name
4,4-difluoro-2,3-dihydrochromene-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.04924 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05652 135.9
[M+Na]+ 221.03846 145.7
[M-H]- 197.04196 138.9
[M+NH4]+ 216.08306 157.2
[M+K]+ 237.01240 143.9
[M+H-H2O]+ 181.04650 128.9
[M+HCOO]- 243.04744 154.8
[M+CH3COO]- 257.06309 182.9
[M+Na-2H]- 219.02391 144.3
[M]+ 198.04869 133.8
[M]- 198.04979 133.8
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

No patent data available for this compound.