CID 64522129

4-(2,6-difluorophenyl)butan-2-one

Structural Information

Molecular Formula
C10H10F2O
SMILES
CC(=O)CCC1=C(C=CC=C1F)F
InChI
InChI=1S/C10H10F2O/c1-7(13)5-6-8-9(11)3-2-4-10(8)12/h2-4H,5-6H2,1H3
InChIKey
GQEWEDZEQVAIPG-UHFFFAOYSA-N
Compound name
4-(2,6-difluorophenyl)butan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

184.06998 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07726 134.6
[M+Na]+ 207.05920 143.6
[M-H]- 183.06270 136.0
[M+NH4]+ 202.10380 154.9
[M+K]+ 223.03314 141.0
[M+H-H2O]+ 167.06724 127.5
[M+HCOO]- 229.06818 156.2
[M+CH3COO]- 243.08383 184.1
[M+Na-2H]- 205.04465 138.6
[M]+ 184.06943 133.4
[M]- 184.07053 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

No literature data available for this compound.

Patent stripe

patents stripe