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

0
Patents

225.01927 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.02655 140.8
[M+Na]+ 248.00849 153.7
[M+NH4]+ 243.05309 145.2
[M+K]+ 263.98243 145.1
[M-H]- 224.01199 134.9
[M+Na-2H]- 245.99394 144.5
[M]+ 225.01872 140.4
[M]- 225.01982 140.4
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.