CID 518463

1,3-dichloro-2-nitrosobenzene

Structural Information

Molecular Formula
C6H3Cl2NO
SMILES
C1=CC(=C(C(=C1)Cl)N=O)Cl
InChI
InChI=1S/C6H3Cl2NO/c7-4-2-1-3-5(8)6(4)9-10/h1-3H
InChIKey
ICYPOGVRNGUWNP-UHFFFAOYSA-N
Compound name
1,3-dichloro-2-nitrosobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

174.95917 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.96645 127.9
[M+Na]+ 197.94839 139.4
[M-H]- 173.95189 133.0
[M+NH4]+ 192.99299 150.2
[M+K]+ 213.92233 135.5
[M+H-H2O]+ 157.95643 124.2
[M+HCOO]- 219.95737 146.6
[M+CH3COO]- 233.97302 181.8
[M+Na-2H]- 195.93384 135.8
[M]+ 174.95862 132.3
[M]- 174.95972 132.3
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