CID 19367093

Methyl 2-(2,5-difluorophenyl)acetate

Structural Information

Molecular Formula
C9H8F2O2
SMILES
COC(=O)CC1=C(C=CC(=C1)F)F
InChI
InChI=1S/C9H8F2O2/c1-13-9(12)5-6-4-7(10)2-3-8(6)11/h2-4H,5H2,1H3
InChIKey
PALKNABXMQMSGW-UHFFFAOYSA-N
Compound name
methyl 2-(2,5-difluorophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

186.04924 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.056516 133.4
[M+Na]+ 209.038458 142.8
[M-H]- 185.041964 135.0
[M+NH4]+ 204.083063 153.6
[M+K]+ 225.012398 141.1
[M+H-H2O]+ 169.046500 126.2
[M+HCOO]- 231.047441 155.5
[M+CH3COO]- 245.063091 182.4
[M+Na-2H]- 207.023906 137.9
[M]+ 186.04869142 133.2
[M]- 186.04978858 133.2
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