CID 3050932

Brn 2589712

Structural Information

Molecular Formula
C16H14ClNO
SMILES
C1CC2=CC=CC=C2C(C3=C1C=CC(=C3)Cl)C(=O)N
InChI
InChI=1S/C16H14ClNO/c17-12-8-7-11-6-5-10-3-1-2-4-13(10)15(16(18)19)14(11)9-12/h1-4,7-9,15H,5-6H2,(H2,18,19)
InChIKey
NGUFJGCGQJNRDT-UHFFFAOYSA-N
Compound name
5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.0764 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.08368 157.5
[M+Na]+ 294.06562 166.1
[M-H]- 270.06912 163.6
[M+NH4]+ 289.11022 175.8
[M+K]+ 310.03956 164.5
[M+H-H2O]+ 254.07366 153.2
[M+HCOO]- 316.07460 173.3
[M+CH3COO]- 330.09025 169.4
[M+Na-2H]- 292.05107 162.9
[M]+ 271.07585 155.1
[M]- 271.07695 155.1
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.