CID 52047

Acetamide, n-(2-chloro-3-fluoranthenyl)-

Structural Information

Molecular Formula
C18H12ClNO
SMILES
CC(=O)NC1=C(C=C2C3=CC=CC=C3C4=CC=CC1=C42)Cl
InChI
InChI=1S/C18H12ClNO/c1-10(21)20-18-14-8-4-7-13-11-5-2-3-6-12(11)15(17(13)14)9-16(18)19/h2-9H,1H3,(H,20,21)
InChIKey
LSNHESLTORWDNG-UHFFFAOYSA-N
Compound name
N-(2-chlorofluoranthen-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.06073 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.06801 166.4
[M+Na]+ 316.04995 177.4
[M-H]- 292.05345 172.7
[M+NH4]+ 311.09455 188.0
[M+K]+ 332.02389 170.2
[M+H-H2O]+ 276.05799 160.6
[M+HCOO]- 338.05893 183.9
[M+CH3COO]- 352.07458 179.1
[M+Na-2H]- 314.03540 172.3
[M]+ 293.06018 171.5
[M]- 293.06128 171.5
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.