CID 114020

3-chloro-1h-pyrazol-4-amine

Structural Information

Molecular Formula
C3H4ClN3
SMILES
C1=NNC(=C1N)Cl
InChI
InChI=1S/C3H4ClN3/c4-3-2(5)1-6-7-3/h1H,5H2,(H,6,7)
InChIKey
CHWZUWDRNLWSPU-UHFFFAOYSA-N
Compound name
5-chloro-1H-pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

247
Patents

117.00938 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.01666 117.1
[M+Na]+ 139.99860 128.7
[M+NH4]+ 135.04320 125.4
[M+K]+ 155.97254 125.2
[M-H]- 116.00210 117.5
[M+Na-2H]- 137.98405 123.1
[M]+ 117.00883 118.8
[M]- 117.00993 118.8
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