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]+ 199.056516 135.9
[M+Na]+ 221.038458 145.7
[M-H]- 197.041964 138.9
[M+NH4]+ 216.083063 157.2
[M+K]+ 237.012398 143.9
[M+H-H2O]+ 181.046500 128.9
[M+HCOO]- 243.047441 154.8
[M+CH3COO]- 257.063091 182.9
[M+Na-2H]- 219.023906 144.3
[M]+ 198.04869142 133.8
[M]- 198.04978858 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.