CID 2080949

2-chloro-4-cyano-6-methoxyphenyl acetate

Structural Information

Molecular Formula
C10H8ClNO3
SMILES
CC(=O)OC1=C(C=C(C=C1Cl)C#N)OC
InChI
InChI=1S/C10H8ClNO3/c1-6(13)15-10-8(11)3-7(5-12)4-9(10)14-2/h3-4H,1-2H3
InChIKey
HROKRSOMNQYVBO-UHFFFAOYSA-N
Compound name
(2-chloro-4-cyano-6-methoxyphenyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

225.01927 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.026546 143.2
[M+Na]+ 248.008488 155.7
[M-H]- 224.011994 147.4
[M+NH4]+ 243.053093 161.1
[M+K]+ 263.982428 152.1
[M+H-H2O]+ 208.016530 132.3
[M+HCOO]- 270.017471 159.8
[M+CH3COO]- 284.033121 199.7
[M+Na-2H]- 245.993936 147.1
[M]+ 225.01872142 143.9
[M]- 225.01981858 143.9
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