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

71
Patents

170.05432 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06160 129.8
[M+Na]+ 193.04354 138.8
[M-H]- 169.04704 132.6
[M+NH4]+ 188.08814 152.0
[M+K]+ 209.01748 137.3
[M+H-H2O]+ 153.05158 122.8
[M+HCOO]- 215.05252 148.6
[M+CH3COO]- 229.06817 143.5
[M+Na-2H]- 191.02899 139.3
[M]+ 170.05377 126.1
[M]- 170.05487 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