CID 66022836

13551-75-2

Structural Information

Molecular Formula
C7H10ClN3O2
SMILES
CC1=NN(C(=C1[N+](=O)[O-])Cl)C(C)C
InChI
InChI=1S/C7H10ClN3O2/c1-4(2)10-7(8)6(11(12)13)5(3)9-10/h4H,1-3H3
InChIKey
FJVYCVAGFODTJU-UHFFFAOYSA-N
Compound name
5-chloro-3-methyl-4-nitro-1-propan-2-ylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.04616 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.05344 140.8
[M+Na]+ 226.03538 150.7
[M-H]- 202.03888 142.5
[M+NH4]+ 221.07998 159.6
[M+K]+ 242.00932 144.3
[M+H-H2O]+ 186.04342 139.7
[M+HCOO]- 248.04436 159.6
[M+CH3COO]- 262.06001 180.1
[M+Na-2H]- 224.02083 145.3
[M]+ 203.04561 142.5
[M]- 203.04671 142.5
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.