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 143.2
[M+Na]+ 248.00849 155.7
[M-H]- 224.01199 147.4
[M+NH4]+ 243.05309 161.1
[M+K]+ 263.98243 152.1
[M+H-H2O]+ 208.01653 132.3
[M+HCOO]- 270.01747 159.8
[M+CH3COO]- 284.03312 199.7
[M+Na-2H]- 245.99394 147.1
[M]+ 225.01872 143.9
[M]- 225.01982 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