CID 91659013

3,6-diethynylcarbazole

Structural Information

Molecular Formula
C16H9N
SMILES
C#CC1=CC2=C(C=C1)NC3=C2C=C(C=C3)C#C
InChI
InChI=1S/C16H9N/c1-3-11-5-7-15-13(9-11)14-10-12(4-2)6-8-16(14)17-15/h1-2,5-10,17H
InChIKey
JNLNYORJQOYKHH-UHFFFAOYSA-N
Compound name
3,6-diethynyl-9H-carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

215.0735 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.08078 166.8
[M+Na]+ 238.06272 180.8
[M-H]- 214.06622 167.6
[M+NH4]+ 233.10732 180.1
[M+K]+ 254.03666 168.8
[M+H-H2O]+ 198.07076 152.1
[M+HCOO]- 260.07170 174.8
[M+CH3COO]- 274.08735 173.8
[M+Na-2H]- 236.04817 167.8
[M]+ 215.07295 158.2
[M]- 215.07405 158.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe