CID 69176697

Methyl 4-(chloromethoxy)benzoate

Structural Information

Molecular Formula
C9H9ClO3
SMILES
COC(=O)C1=CC=C(C=C1)OCCl
InChI
InChI=1S/C9H9ClO3/c1-12-9(11)7-2-4-8(5-3-7)13-6-10/h2-5H,6H2,1H3
InChIKey
YGBBVPZZKYTLQP-UHFFFAOYSA-N
Compound name
methyl 4-(chloromethoxy)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

200.02402 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.03130 137.2
[M+Na]+ 223.01324 146.4
[M-H]- 199.01674 141.2
[M+NH4]+ 218.05784 157.5
[M+K]+ 238.98718 144.0
[M+H-H2O]+ 183.02128 132.4
[M+HCOO]- 245.02222 157.2
[M+CH3COO]- 259.03787 181.6
[M+Na-2H]- 220.99869 143.2
[M]+ 200.02347 142.5
[M]- 200.02457 142.5
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