CID 154704568

2114296-44-3

Structural Information

Molecular Formula
C10H11ClO3
SMILES
CC1=CC(=C(C=C1C(=O)OC)OC)Cl
InChI
InChI=1S/C10H11ClO3/c1-6-4-8(11)9(13-2)5-7(6)10(12)14-3/h4-5H,1-3H3
InChIKey
RHPCWBSBAPLWCB-UHFFFAOYSA-N
Compound name
methyl 4-chloro-5-methoxy-2-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.03967 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.046946 140.1
[M+Na]+ 237.028888 150.7
[M-H]- 213.032394 144.7
[M+NH4]+ 232.073493 160.5
[M+K]+ 253.002828 148.2
[M+H-H2O]+ 197.036930 135.7
[M+HCOO]- 259.037871 159.8
[M+CH3COO]- 273.053521 187.0
[M+Na-2H]- 235.014336 144.3
[M]+ 214.03912142 146.6
[M]- 214.04021858 146.6
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.