CID 20058425

1-ethyl-4-iodo-1h-pyrazole

Structural Information

Molecular Formula
C5H7IN2
SMILES
CCN1C=C(C=N1)I
InChI
InChI=1S/C5H7IN2/c1-2-8-4-5(6)3-7-8/h3-4H,2H2,1H3
InChIKey
XWZIDZDMNYAEOP-UHFFFAOYSA-N
Compound name
1-ethyl-4-iodopyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

221.9654 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.97268 124.8
[M+Na]+ 244.95462 127.6
[M-H]- 220.95812 119.3
[M+NH4]+ 239.99922 141.9
[M+K]+ 260.92856 132.4
[M+H-H2O]+ 204.96266 115.0
[M+HCOO]- 266.96360 143.6
[M+CH3COO]- 280.97925 178.1
[M+Na-2H]- 242.94007 119.9
[M]+ 221.96485 123.1
[M]- 221.96595 123.1
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