CID 3050930

Brn 2281287

Structural Information

Molecular Formula
C16H12ClNO
SMILES
C1=CC=C2C(C3=C(C=CC2=C1)C=CC(=C3)Cl)C(=O)N
InChI
InChI=1S/C16H12ClNO/c17-12-8-7-11-6-5-10-3-1-2-4-13(10)15(16(18)19)14(11)9-12/h1-9,15H,(H2,18,19)
InChIKey
NZZXSFLSWYDHTI-UHFFFAOYSA-N
Compound name
5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.06073 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.068006 156.7
[M+Na]+ 292.049948 166.3
[M-H]- 268.053454 163.2
[M+NH4]+ 287.094553 175.2
[M+K]+ 308.023888 164.6
[M+H-H2O]+ 252.057990 152.5
[M+HCOO]- 314.058931 173.9
[M+CH3COO]- 328.074581 169.1
[M+Na-2H]- 290.035396 163.0
[M]+ 269.06018142 155.7
[M]- 269.06127858 155.7
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.