CID 121514065

4-[(1e)-3-chloroprop-1-en-1-yl]-1-methyl-1h-pyrazole

Structural Information

Molecular Formula
C7H9ClN2
SMILES
CN1C=C(C=N1)/C=C/CCl
InChI
InChI=1S/C7H9ClN2/c1-10-6-7(5-9-10)3-2-4-8/h2-3,5-6H,4H2,1H3/b3-2+
InChIKey
LMUUUXFLROMSSI-NSCUHMNNSA-N
Compound name
4-[(E)-3-chloroprop-1-enyl]-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.04543 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.05271 131.0
[M+Na]+ 179.03465 141.2
[M-H]- 155.03815 131.7
[M+NH4]+ 174.07925 152.2
[M+K]+ 195.00859 137.4
[M+H-H2O]+ 139.04269 124.6
[M+HCOO]- 201.04363 149.7
[M+CH3COO]- 215.05928 174.3
[M+Na-2H]- 177.02010 136.4
[M]+ 156.04488 133.0
[M]- 156.04598 133.0
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.