CID 37134541

1175788-58-5

Structural Information

Molecular Formula
C5H5IN2
SMILES
C=CN1C=C(C=N1)I
InChI
InChI=1S/C5H5IN2/c1-2-8-4-5(6)3-7-8/h2-4H,1H2
InChIKey
ZBUGBGHFOYSENG-UHFFFAOYSA-N
Compound name
1-ethenyl-4-iodopyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

219.94975 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.95703 123.2
[M+Na]+ 242.93897 126.3
[M-H]- 218.94247 117.8
[M+NH4]+ 237.98357 140.3
[M+K]+ 258.91291 130.5
[M+H-H2O]+ 202.94701 113.5
[M+HCOO]- 264.94795 142.2
[M+CH3COO]- 278.96360 177.2
[M+Na-2H]- 240.92442 118.4
[M]+ 219.94920 120.8
[M]- 219.95030 120.8
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