CID 17821617

5-chloro-2-(2-methoxyethoxy)benzonitrile

Structural Information

Molecular Formula
C10H10ClNO2
SMILES
COCCOC1=C(C=C(C=C1)Cl)C#N
InChI
InChI=1S/C10H10ClNO2/c1-13-4-5-14-10-3-2-9(11)6-8(10)7-12/h2-3,6H,4-5H2,1H3
InChIKey
HSFHZEQYEDVDKA-UHFFFAOYSA-N
Compound name
5-chloro-2-(2-methoxyethoxy)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

211.04001 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.047286 140.7
[M+Na]+ 234.029228 152.5
[M-H]- 210.032734 144.4
[M+NH4]+ 229.073833 159.0
[M+K]+ 250.003168 148.3
[M+H-H2O]+ 194.037270 129.5
[M+HCOO]- 256.038211 157.8
[M+CH3COO]- 270.053861 197.4
[M+Na-2H]- 232.014676 146.5
[M]+ 211.03946142 141.1
[M]- 211.04055858 141.1
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