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]+ 174.042856 133.8
[M+Na]+ 196.024798 144.1
[M-H]- 172.028304 135.4
[M+NH4]+ 191.069403 154.2
[M+K]+ 211.998738 141.3
[M+H-H2O]+ 156.032840 127.5
[M+HCOO]- 218.033781 153.2
[M+CH3COO]- 232.049431 180.0
[M+Na-2H]- 194.010246 138.3
[M]+ 173.03503142 136.0
[M]- 173.03612858 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.