CID 62226041

Methyl 2-chloro-2-(4-fluoro-2-methylphenyl)acetate

Structural Information

Molecular Formula
C10H10ClFO2
SMILES
CC1=C(C=CC(=C1)F)C(C(=O)OC)Cl
InChI
InChI=1S/C10H10ClFO2/c1-6-5-7(12)3-4-8(6)9(11)10(13)14-2/h3-5,9H,1-2H3
InChIKey
SBDGKQCTJCZZOH-UHFFFAOYSA-N
Compound name
methyl 2-chloro-2-(4-fluoro-2-methylphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.03534 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.04262 140.2
[M+Na]+ 239.02456 149.8
[M-H]- 215.02806 143.0
[M+NH4]+ 234.06916 160.1
[M+K]+ 254.99850 146.6
[M+H-H2O]+ 199.03260 134.9
[M+HCOO]- 261.03354 157.6
[M+CH3COO]- 275.04919 187.3
[M+Na-2H]- 237.01001 143.2
[M]+ 216.03479 143.1
[M]- 216.03589 143.1
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.