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]+ 291.008646 168.5
[M+Na]+ 312.990588 180.3
[M-H]- 288.994094 173.5
[M+NH4]+ 308.035193 183.5
[M+K]+ 328.964528 171.4
[M+H-H2O]+ 272.998630 156.8
[M+HCOO]- 334.999571 179.7
[M+CH3COO]- 349.015221 210.1
[M+Na-2H]- 310.976036 170.4
[M]+ 290.00082142 164.2
[M]- 290.00191858 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