CID 19068894

4-(2-chloroethyl)-1h-pyrazole

Structural Information

Molecular Formula
C5H7ClN2
SMILES
C1=C(C=NN1)CCCl
InChI
InChI=1S/C5H7ClN2/c6-2-1-5-3-7-8-4-5/h3-4H,1-2H2,(H,7,8)
InChIKey
KBGYVEMTQPFYBN-UHFFFAOYSA-N
Compound name
4-(2-chloroethyl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

130.02977 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.037046 123.3
[M+Na]+ 153.018988 132.6
[M-H]- 129.022494 122.6
[M+NH4]+ 148.063593 144.5
[M+K]+ 168.992928 129.1
[M+H-H2O]+ 113.027030 117.2
[M+HCOO]- 175.027971 141.0
[M+CH3COO]- 189.043621 166.1
[M+Na-2H]- 151.004436 130.1
[M]+ 130.02922142 123.2
[M]- 130.03031858 123.2
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

patents stripe