CID 4185852

116596-89-5

Structural Information

Molecular Formula
C18H16Cl2
SMILES
CC12C(C(C(C3=CC=CC=C31)(C4=CC=CC=C24)C)Cl)Cl
InChI
InChI=1S/C18H16Cl2/c1-17-11-7-3-5-9-13(11)18(2,16(20)15(17)19)14-10-6-4-8-12(14)17/h3-10,15-16H,1-2H3
InChIKey
WSLULVYZRNOGCI-UHFFFAOYSA-N
Compound name
15,16-dichloro-1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.0629 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.07018 166.5
[M+Na]+ 325.05212 176.8
[M-H]- 301.05562 168.9
[M+NH4]+ 320.09672 191.8
[M+K]+ 341.02606 168.8
[M+H-H2O]+ 285.06016 159.4
[M+HCOO]- 347.06110 170.7
[M+CH3COO]- 361.07675 177.3
[M+Na-2H]- 323.03757 175.8
[M]+ 302.06235 172.2
[M]- 302.06345 172.2
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.