CID 5286094

4,4'-difluorochalcone

Structural Information

Molecular Formula
C15H10F2O
SMILES
C1=CC(=CC=C1/C=C/C(=O)C2=CC=C(C=C2)F)F
InChI
InChI=1S/C15H10F2O/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10H/b10-3+
InChIKey
AZBVDMNDUOURGI-XCVCLJGOSA-N
Compound name
(E)-1,3-bis(4-fluorophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

46
Patents

244.06998 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.07726 151.0
[M+Na]+ 267.05920 159.6
[M-H]- 243.06270 155.2
[M+NH4]+ 262.10380 168.3
[M+K]+ 283.03314 154.3
[M+H-H2O]+ 227.06724 142.0
[M+HCOO]- 289.06818 172.5
[M+CH3COO]- 303.08383 193.3
[M+Na-2H]- 265.04465 154.7
[M]+ 244.06943 148.3
[M]- 244.07053 148.3
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