CID 3054553

1-azafluorenone iodomethylate

Structural Information

Molecular Formula
C13H10NO
SMILES
C[N+]1=CC=CC2=C1C(=O)C3=CC=CC=C23
InChI
InChI=1S/C13H10NO/c1-14-8-4-7-10-9-5-2-3-6-11(9)13(15)12(10)14/h2-8H,1H3/q+1
InChIKey
ZCJNRTCJZVFRRH-UHFFFAOYSA-N
Compound name
1-methylindeno[2,1-b]pyridin-1-ium-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

196.07623 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08351 141.8
[M+Na]+ 219.06545 153.1
[M-H]- 195.06895 147.2
[M+NH4]+ 214.11005 164.0
[M+K]+ 235.03939 143.2
[M+H-H2O]+ 179.07349 138.2
[M+HCOO]- 241.07443 164.3
[M+CH3COO]- 255.09008 179.0
[M+Na-2H]- 217.05090 151.4
[M]+ 196.07568 142.6
[M]- 196.07678 142.6
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

patents stripe