CID 3049757

Brn 2726082

Structural Information

Molecular Formula
C13H14ClNO
SMILES
CC(C)N/C=C/1\CC2=C(C1=O)C=CC=C2Cl
InChI
InChI=1S/C13H14ClNO/c1-8(2)15-7-9-6-11-10(13(9)16)4-3-5-12(11)14/h3-5,7-8,15H,6H2,1-2H3/b9-7+
InChIKey
IBGOBBQWLHTZQM-VQHVLOKHSA-N
Compound name
(2E)-4-chloro-2-[(propan-2-ylamino)methylidene]-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.07639 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.08367 151.1
[M+Na]+ 258.06561 163.2
[M+NH4]+ 253.11021 160.1
[M+K]+ 274.03955 157.4
[M-H]- 234.06911 153.6
[M+Na-2H]- 256.05106 155.6
[M]+ 235.07584 153.6
[M]- 235.07694 153.6
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

No patent data available for this compound.