CID 55274318

1-(2,6-difluoro-3-methylphenyl)propan-2-one

Structural Information

Molecular Formula
C10H10F2O
SMILES
CC1=C(C(=C(C=C1)F)CC(=O)C)F
InChI
InChI=1S/C10H10F2O/c1-6-3-4-9(11)8(10(6)12)5-7(2)13/h3-4H,5H2,1-2H3
InChIKey
NMLYUWZDQOPADA-UHFFFAOYSA-N
Compound name
1-(2,6-difluoro-3-methylphenyl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.06998 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07726 133.6
[M+Na]+ 207.05920 143.6
[M-H]- 183.06270 135.5
[M+NH4]+ 202.10380 154.2
[M+K]+ 223.03314 141.0
[M+H-H2O]+ 167.06724 126.8
[M+HCOO]- 229.06818 155.2
[M+CH3COO]- 243.08383 185.3
[M+Na-2H]- 205.04465 137.0
[M]+ 184.06943 132.8
[M]- 184.07053 132.8
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.