CID 3006761

Chembl87813

Structural Information

Molecular Formula
C14H7ClN4O
SMILES
C1=CC=C2C(=C1)C(=C3N2N=NC4=C3C=C(C=C4)Cl)N=O
InChI
InChI=1S/C14H7ClN4O/c15-8-5-6-11-10(7-8)14-13(17-20)9-3-1-2-4-12(9)19(14)18-16-11/h1-7H
InChIKey
CHQAZGFQMIZZJM-UHFFFAOYSA-N
Compound name
2-chloro-12-nitrosoindolo[1,2-c][1,2,3]benzotriazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.03085 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.03813 159.1
[M+Na]+ 305.02007 174.5
[M-H]- 281.02357 164.3
[M+NH4]+ 300.06467 177.5
[M+K]+ 320.99401 167.6
[M+H-H2O]+ 265.02811 150.1
[M+HCOO]- 327.02905 178.9
[M+CH3COO]- 341.04470 172.9
[M+Na-2H]- 303.00552 170.0
[M]+ 282.03030 167.5
[M]- 282.03140 167.5
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

No patent data available for this compound.