CID 3613924

4'-(4-chlorobenzylideneamino)acetophenone

Structural Information

Molecular Formula
C15H12ClNO
SMILES
CC(=O)C1=CC=C(C=C1)N=CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H12ClNO/c1-11(18)13-4-8-15(9-5-13)17-10-12-2-6-14(16)7-3-12/h2-10H,1H3
InChIKey
HBIOGMSFDFPLMI-UHFFFAOYSA-N
Compound name
1-[4-[(4-chlorophenyl)methylideneamino]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

257.06073 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.06801 156.4
[M+Na]+ 280.04995 165.2
[M-H]- 256.05345 164.5
[M+NH4]+ 275.09455 174.5
[M+K]+ 296.02389 159.9
[M+H-H2O]+ 240.05799 149.4
[M+HCOO]- 302.05893 178.0
[M+CH3COO]- 316.07458 199.0
[M+Na-2H]- 278.03540 161.6
[M]+ 257.06018 159.4
[M]- 257.06128 159.4
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