CID 72214779

Methyl 3-(chloromethyl)-5-fluorobenzoate

Structural Information

Molecular Formula
C9H8ClFO2
SMILES
COC(=O)C1=CC(=CC(=C1)CCl)F
InChI
InChI=1S/C9H8ClFO2/c1-13-9(12)7-2-6(5-10)3-8(11)4-7/h2-4H,5H2,1H3
InChIKey
CQISVNDACOQIQO-UHFFFAOYSA-N
Compound name
methyl 3-(chloromethyl)-5-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.01968 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.02696 137.4
[M+Na]+ 225.00890 150.7
[M+NH4]+ 220.05350 145.6
[M+K]+ 240.98284 144.1
[M-H]- 201.01240 137.9
[M+Na-2H]- 222.99435 143.8
[M]+ 202.01913 139.7
[M]- 202.02023 139.7
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.