CID 145867134

2375260-45-8

Structural Information

Molecular Formula
C7H8Cl2N2O
SMILES
CC1=NN(C(=C1C=O)Cl)CCCl
InChI
InChI=1S/C7H8Cl2N2O/c1-5-6(4-12)7(9)11(10-5)3-2-8/h4H,2-3H2,1H3
InChIKey
VPPZFWBOYIVRJD-UHFFFAOYSA-N
Compound name
5-chloro-1-(2-chloroethyl)-3-methylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.00137 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.00865 139.2
[M+Na]+ 228.99059 151.3
[M-H]- 204.99409 140.0
[M+NH4]+ 224.03519 159.1
[M+K]+ 244.96453 146.5
[M+H-H2O]+ 188.99863 133.7
[M+HCOO]- 250.99957 152.8
[M+CH3COO]- 265.01522 183.9
[M+Na-2H]- 226.97604 142.5
[M]+ 206.00082 144.2
[M]- 206.00192 144.2
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.