CID 2733544

Methyl 2-(3-chlorophenyl)acetate

Structural Information

Molecular Formula
C9H9ClO2
SMILES
COC(=O)CC1=CC(=CC=C1)Cl
InChI
InChI=1S/C9H9ClO2/c1-12-9(11)6-7-3-2-4-8(10)5-7/h2-5H,6H2,1H3
InChIKey
HTBBVKFFDDQVER-UHFFFAOYSA-N
Compound name
methyl 2-(3-chlorophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

356
Patents

184.02911 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.036386 134.3
[M+Na]+ 207.018328 143.6
[M-H]- 183.021834 138.3
[M+NH4]+ 202.062933 155.4
[M+K]+ 222.992268 140.6
[M+H-H2O]+ 167.026370 129.8
[M+HCOO]- 229.027311 154.1
[M+CH3COO]- 243.042961 179.6
[M+Na-2H]- 205.003776 140.3
[M]+ 184.02856142 138.1
[M]- 184.02965858 138.1
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

patents stripe