CID 70959

1,3,5-trichloro-2-nitrosobenzene

Structural Information

Molecular Formula
C6H2Cl3NO
SMILES
C1=C(C=C(C(=C1Cl)N=O)Cl)Cl
InChI
InChI=1S/C6H2Cl3NO/c7-3-1-4(8)6(10-11)5(9)2-3/h1-2H
InChIKey
ASVJEKOYAPBKKG-UHFFFAOYSA-N
Compound name
1,3,5-trichloro-2-nitrosobenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

9
Patents

208.9202 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.927476 134.9
[M+Na]+ 231.909418 147.0
[M-H]- 207.912924 138.9
[M+NH4]+ 226.954023 155.9
[M+K]+ 247.883358 142.3
[M+H-H2O]+ 191.917460 132.1
[M+HCOO]- 253.918401 147.9
[M+CH3COO]- 267.934051 188.4
[M+Na-2H]- 229.894866 140.8
[M]+ 208.91965142 139.6
[M]- 208.92074858 139.6
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