CID 198612

85124-16-9

Structural Information

Molecular Formula
C8H5ClN2O2
SMILES
C1=CC2=C(C=C1Cl)C(=C(N2)O)N=O
InChI
InChI=1S/C8H5ClN2O2/c9-4-1-2-6-5(3-4)7(11-13)8(12)10-6/h1-3,10,12H
InChIKey
YEMCVLHZEIKIKZ-UHFFFAOYSA-N
Compound name
5-chloro-3-nitroso-1H-indol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

8
Patents

196.00395 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.01123 134.6
[M+Na]+ 218.99317 147.3
[M-H]- 194.99667 137.9
[M+NH4]+ 214.03777 156.1
[M+K]+ 234.96711 142.3
[M+H-H2O]+ 179.00121 129.6
[M+HCOO]- 241.00215 155.8
[M+CH3COO]- 255.01780 180.9
[M+Na-2H]- 216.97862 142.3
[M]+ 196.00340 138.4
[M]- 196.00450 138.4
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