CID 362361

Nsc626107

Structural Information

Molecular Formula
C14H8ClNO2
SMILES
C1=CC=C(C=C1)C2=[N+](C3=C(C2=O)C=C(C=C3)Cl)[O-]
InChI
InChI=1S/C14H8ClNO2/c15-10-6-7-12-11(8-10)14(17)13(16(12)18)9-4-2-1-3-5-9/h1-8H
InChIKey
QDQMICQBCNQCIY-UHFFFAOYSA-N
Compound name
5-chloro-1-oxido-2-phenylindol-1-ium-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

257.02435 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.03163 156.6
[M+Na]+ 280.01357 167.6
[M-H]- 256.01707 162.2
[M+NH4]+ 275.05817 174.9
[M+K]+ 295.98751 156.7
[M+H-H2O]+ 240.02161 154.7
[M+HCOO]- 302.02255 174.9
[M+CH3COO]- 316.03820 184.0
[M+Na-2H]- 277.99902 162.7
[M]+ 257.02380 157.6
[M]- 257.02490 157.6
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