CID 24972924

(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

9
Patents

214.99046 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.99774 140.0
[M+Na]+ 237.97968 153.4
[M-H]- 213.98318 143.5
[M+NH4]+ 233.02428 158.8
[M+K]+ 253.95362 147.6
[M+H-H2O]+ 197.98772 130.3
[M+HCOO]- 259.98866 152.6
[M+CH3COO]- 274.00431 198.1
[M+Na-2H]- 235.96513 144.8
[M]+ 214.98991 140.0
[M]- 214.99101 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