CID 6174252

22296-49-7

Structural Information

Molecular Formula
C13H6Cl3NO
SMILES
C1=CC2=C(C=C1Cl)/C(=N/O)/C3=C2C(=CC(=C3)Cl)Cl
InChI
InChI=1S/C13H6Cl3NO/c14-6-1-2-8-9(3-6)13(17-18)10-4-7(15)5-11(16)12(8)10/h1-5,18H/b17-13-
InChIKey
VTNWXOMGUDVHMJ-LGMDPLHJSA-N
Compound name
(NZ)-N-(2,4,7-trichlorofluoren-9-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.9515 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.95878 162.9
[M+Na]+ 319.94072 176.4
[M-H]- 295.94422 167.4
[M+NH4]+ 314.98532 183.9
[M+K]+ 335.91466 168.4
[M+H-H2O]+ 279.94876 159.5
[M+HCOO]- 341.94970 172.6
[M+CH3COO]- 355.96535 175.5
[M+Na-2H]- 317.92617 166.5
[M]+ 296.95095 167.9
[M]- 296.95205 167.9
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.