CID 715696

2-(difluoromethyl)-4h-chromen-4-one

Structural Information

Molecular Formula
C10H6F2O2
SMILES
C1=CC=C2C(=C1)C(=O)C=C(O2)C(F)F
InChI
InChI=1S/C10H6F2O2/c11-10(12)9-5-7(13)6-3-1-2-4-8(6)14-9/h1-5,10H
InChIKey
GKIYUOSVTAOJHU-UHFFFAOYSA-N
Compound name
2-(difluoromethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

22
Patents

196.03358 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.04086 133.6
[M+Na]+ 219.02280 144.2
[M-H]- 195.02630 137.0
[M+NH4]+ 214.06740 153.0
[M+K]+ 234.99674 142.2
[M+H-H2O]+ 179.03084 126.1
[M+HCOO]- 241.03178 154.4
[M+CH3COO]- 255.04743 183.6
[M+Na-2H]- 217.00825 141.7
[M]+ 196.03303 133.4
[M]- 196.03413 133.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe