CID 79189487

1-(3,5-difluorophenyl)-3-methylbut-2-en-1-one

Structural Information

Molecular Formula
C11H10F2O
SMILES
CC(=CC(=O)C1=CC(=CC(=C1)F)F)C
InChI
InChI=1S/C11H10F2O/c1-7(2)3-11(14)8-4-9(12)6-10(13)5-8/h3-6H,1-2H3
InChIKey
LUWOMGCAFBWJJB-UHFFFAOYSA-N
Compound name
1-(3,5-difluorophenyl)-3-methylbut-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.06998 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.07726 137.8
[M+Na]+ 219.05920 146.5
[M-H]- 195.06270 139.3
[M+NH4]+ 214.10380 157.5
[M+K]+ 235.03314 143.6
[M+H-H2O]+ 179.06724 130.7
[M+HCOO]- 241.06818 158.3
[M+CH3COO]- 255.08383 186.4
[M+Na-2H]- 217.04465 140.1
[M]+ 196.06943 135.6
[M]- 196.07053 135.6
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.