CID 14418574

124382-20-3

Structural Information

Molecular Formula
C9H8F2O
SMILES
C1CC(OC2=CC=CC=C21)(F)F
InChI
InChI=1S/C9H8F2O/c10-9(11)6-5-7-3-1-2-4-8(7)12-9/h1-4H,5-6H2
InChIKey
ICCGDOXSRPJAQR-UHFFFAOYSA-N
Compound name
2,2-difluoro-3,4-dihydrochromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

170.05432 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.061596 129.8
[M+Na]+ 193.043538 138.8
[M-H]- 169.047044 132.6
[M+NH4]+ 188.088143 152.0
[M+K]+ 209.017478 137.3
[M+H-H2O]+ 153.051580 122.8
[M+HCOO]- 215.052521 148.6
[M+CH3COO]- 229.068171 143.5
[M+Na-2H]- 191.028986 139.3
[M]+ 170.05377142 126.1
[M]- 170.05486858 126.1
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