CID 3450799

2,3-dichloro-4-hydroxyimino-a-phenyl-2,5-cyclohexadiene-delta1-a-acetonitrile

Structural Information

Molecular Formula
C14H8Cl2N2O
SMILES
C1=CC=C(C=C1)C(=C2C=CC(=NO)C(=C2Cl)Cl)C#N
InChI
InChI=1S/C14H8Cl2N2O/c15-13-10(6-7-12(18-19)14(13)16)11(8-17)9-4-2-1-3-5-9/h1-7,19H
InChIKey
KDHDVBPJWGLFSB-UHFFFAOYSA-N
Compound name
2-(2,3-dichloro-4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)-2-phenylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.00137 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.00865 168.5
[M+Na]+ 312.99059 180.3
[M-H]- 288.99409 173.5
[M+NH4]+ 308.03519 183.5
[M+K]+ 328.96453 171.4
[M+H-H2O]+ 272.99863 156.8
[M+HCOO]- 334.99957 179.7
[M+CH3COO]- 349.01522 210.1
[M+Na-2H]- 310.97604 170.4
[M]+ 290.00082 164.2
[M]- 290.00192 164.2
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