CID 75480991

1704251-79-5

Structural Information

Molecular Formula
C6H8ClN3O
SMILES
CC1=C(C=NN1C)/C(=N/O)/Cl
InChI
InChI=1S/C6H8ClN3O/c1-4-5(6(7)9-11)3-8-10(4)2/h3,11H,1-2H3/b9-6-
InChIKey
LFYZLWGGLSQRLW-TWGQIWQCSA-N
Compound name
(4Z)-N-hydroxy-1,5-dimethylpyrazole-4-carboximidoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.03558 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.04286 133.8
[M+Na]+ 196.02480 144.1
[M-H]- 172.02830 135.4
[M+NH4]+ 191.06940 154.2
[M+K]+ 211.99874 141.3
[M+H-H2O]+ 156.03284 127.5
[M+HCOO]- 218.03378 153.2
[M+CH3COO]- 232.04943 180.0
[M+Na-2H]- 194.01025 138.3
[M]+ 173.03503 136.0
[M]- 173.03613 136.0
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.