CID 72767

7512-47-2

Structural Information

Molecular Formula
C14H13ClN2O
SMILES
CN(C)C1=CC=C(C=C1)N=C2C=CC(=O)C(=C2)Cl
InChI
InChI=1S/C14H13ClN2O/c1-17(2)12-6-3-10(4-7-12)16-11-5-8-14(18)13(15)9-11/h3-9H,1-2H3
InChIKey
GFALCKJLTJCETA-UHFFFAOYSA-N
Compound name
2-chloro-4-[4-(dimethylamino)phenyl]iminocyclohexa-2,5-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

260.07166 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.07894 157.6
[M+Na]+ 283.06088 166.2
[M-H]- 259.06438 167.2
[M+NH4]+ 278.10548 176.2
[M+K]+ 299.03482 162.2
[M+H-H2O]+ 243.06892 150.3
[M+HCOO]- 305.06986 180.6
[M+CH3COO]- 319.08551 205.0
[M+Na-2H]- 281.04633 162.3
[M]+ 260.07111 160.3
[M]- 260.07221 160.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.