CID 57516618

1-cyclopropyl-4-iodo-1h-pyrazole

Structural Information

Molecular Formula
C6H7IN2
SMILES
C1CC1N2C=C(C=N2)I
InChI
InChI=1S/C6H7IN2/c7-5-3-8-9(4-5)6-1-2-6/h3-4,6H,1-2H2
InChIKey
JBWOMLVMUQFTFQ-UHFFFAOYSA-N
Compound name
1-cyclopropyl-4-iodopyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

144
Patents

233.9654 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.972676 131.1
[M+Na]+ 256.954618 135.5
[M-H]- 232.958124 129.5
[M+NH4]+ 251.999223 143.1
[M+K]+ 272.928558 138.2
[M+H-H2O]+ 216.962660 120.5
[M+HCOO]- 278.963601 150.0
[M+CH3COO]- 292.979251 141.2
[M+Na-2H]- 254.940066 126.2
[M]+ 233.96485142 130.6
[M]- 233.96594858 130.6
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