CID 79428888

4,4-difluoro-1-phenylbutan-1-one

Structural Information

Molecular Formula
C10H10F2O
SMILES
C1=CC=C(C=C1)C(=O)CCC(F)F
InChI
InChI=1S/C10H10F2O/c11-10(12)7-6-9(13)8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKey
VDZXTNCQBSBFQH-UHFFFAOYSA-N
Compound name
4,4-difluoro-1-phenylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.06998 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07726 136.5
[M+Na]+ 207.05920 143.3
[M-H]- 183.06270 137.2
[M+NH4]+ 202.10380 156.0
[M+K]+ 223.03314 141.1
[M+H-H2O]+ 167.06724 128.9
[M+HCOO]- 229.06818 157.0
[M+CH3COO]- 243.08383 182.7
[M+Na-2H]- 205.04465 140.5
[M]+ 184.06943 133.9
[M]- 184.07053 133.9
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

No patent data available for this compound.