CID 13146994

Methyl 3-chloro-2-fluoropropanoate

Structural Information

Molecular Formula
C4H6ClFO2
SMILES
COC(=O)C(CCl)F
InChI
InChI=1S/C4H6ClFO2/c1-8-4(7)3(6)2-5/h3H,2H2,1H3
InChIKey
RJKRCTOAJWVFOZ-UHFFFAOYSA-N
Compound name
methyl 3-chloro-2-fluoropropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

140.00403 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.01131 121.2
[M+Na]+ 162.99325 130.0
[M-H]- 138.99675 120.6
[M+NH4]+ 158.03785 143.8
[M+K]+ 178.96719 128.9
[M+H-H2O]+ 123.00129 117.3
[M+HCOO]- 185.00223 138.9
[M+CH3COO]- 199.01788 171.8
[M+Na-2H]- 160.97870 126.1
[M]+ 140.00348 123.2
[M]- 140.00458 123.2
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