CID 5029294

(2-chloro-4-nitrophenyl)hydrazine

Structural Information

Molecular Formula
C6H6ClN3O2
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])Cl)NN
InChI
InChI=1S/C6H6ClN3O2/c7-5-3-4(10(11)12)1-2-6(5)9-8/h1-3,9H,8H2
InChIKey
JBFZYCIJRNJFOG-UHFFFAOYSA-N
Compound name
(2-chloro-4-nitrophenyl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

80
Patents

187.01485 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.02213 133.5
[M+Na]+ 210.00407 141.5
[M-H]- 186.00757 136.9
[M+NH4]+ 205.04867 152.5
[M+K]+ 225.97801 134.3
[M+H-H2O]+ 170.01211 133.3
[M+HCOO]- 232.01305 156.9
[M+CH3COO]- 246.02870 178.4
[M+Na-2H]- 207.98952 141.6
[M]+ 187.01430 131.5
[M]- 187.01540 131.5
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

patents stripe