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]+ 270.06801 156.7
[M+Na]+ 292.04995 166.3
[M-H]- 268.05345 163.2
[M+NH4]+ 287.09455 175.2
[M+K]+ 308.02389 164.6
[M+H-H2O]+ 252.05799 152.5
[M+HCOO]- 314.05893 173.9
[M+CH3COO]- 328.07458 169.1
[M+Na-2H]- 290.03540 163.0
[M]+ 269.06018 155.7
[M]- 269.06128 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.