CID 24972924

2-(3,5-dichloro-4-methoxyphenyl)acetonitrile

Structural Information

Molecular Formula
C9H7Cl2NO
SMILES
COC1=C(C=C(C=C1Cl)CC#N)Cl
InChI
InChI=1S/C9H7Cl2NO/c1-13-9-7(10)4-6(2-3-12)5-8(9)11/h4-5H,2H2,1H3
InChIKey
UIYVHMGECOSPEX-UHFFFAOYSA-N
Compound name
2-(3,5-dichloro-4-methoxyphenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

214.99046 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.997736 140.0
[M+Na]+ 237.979678 153.4
[M-H]- 213.983184 143.5
[M+NH4]+ 233.024283 158.8
[M+K]+ 253.953618 147.6
[M+H-H2O]+ 197.987720 130.3
[M+HCOO]- 259.988661 152.6
[M+CH3COO]- 274.004311 198.1
[M+Na-2H]- 235.965126 144.8
[M]+ 214.98991142 140.0
[M]- 214.99100858 140.0
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