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

1
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

patents stripe