CID 382940

Nsc670823

Structural Information

Molecular Formula
C11H9Cl2N3O2
SMILES
CC1=C(C(=NN1C2=C(C=CC(=C2)Cl)[N+](=O)[O-])C)Cl
InChI
InChI=1S/C11H9Cl2N3O2/c1-6-11(13)7(2)15(14-6)10-5-8(12)3-4-9(10)16(17)18/h3-5H,1-2H3
InChIKey
PHHBEDYSERXPLT-UHFFFAOYSA-N
Compound name
4-chloro-1-(5-chloro-2-nitrophenyl)-3,5-dimethylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.00717 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.01445 161.4
[M+Na]+ 307.99639 172.2
[M-H]- 283.99989 165.5
[M+NH4]+ 303.04099 177.1
[M+K]+ 323.97033 162.9
[M+H-H2O]+ 268.00443 159.2
[M+HCOO]- 330.00537 175.7
[M+CH3COO]- 344.02102 193.8
[M+Na-2H]- 305.98184 164.6
[M]+ 285.00662 164.5
[M]- 285.00772 164.5
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.