CID 86702137

3,6-difluoro-9h-carbazole

Structural Information

Molecular Formula
C12H7F2N
SMILES
C1=CC2=C(C=C1F)C3=C(N2)C=CC(=C3)F
InChI
InChI=1S/C12H7F2N/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6,15H
InChIKey
WIBSYPXJJKRRRB-UHFFFAOYSA-N
Compound name
3,6-difluoro-9H-carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

153
Patents

203.05466 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06194 137.4
[M+Na]+ 226.04388 150.0
[M-H]- 202.04738 138.9
[M+NH4]+ 221.08848 159.1
[M+K]+ 242.01782 143.6
[M+H-H2O]+ 186.05192 129.8
[M+HCOO]- 248.05286 158.1
[M+CH3COO]- 262.06851 151.2
[M+Na-2H]- 224.02933 144.8
[M]+ 203.05411 136.0
[M]- 203.05521 136.0
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