CID 362364

Nsc626110

Structural Information

Molecular Formula
C15H10ClNO2
SMILES
CC1=CC=CC=C1C2=[N+](C3=C(C2=O)C=C(C=C3)Cl)[O-]
InChI
InChI=1S/C15H10ClNO2/c1-9-4-2-3-5-11(9)14-15(18)12-8-10(16)6-7-13(12)17(14)19/h2-8H,1H3
InChIKey
JYEHVYQXKLGAKO-UHFFFAOYSA-N
Compound name
5-chloro-2-(2-methylphenyl)-1-oxidoindol-1-ium-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.04 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.04728 161.2
[M+Na]+ 294.02922 172.7
[M-H]- 270.03272 167.1
[M+NH4]+ 289.07382 179.3
[M+K]+ 310.00316 161.6
[M+H-H2O]+ 254.03726 159.4
[M+HCOO]- 316.03820 179.2
[M+CH3COO]- 330.05385 188.1
[M+Na-2H]- 292.01467 166.2
[M]+ 271.03945 163.0
[M]- 271.04055 163.0
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.