CID 13834974

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

Structural Information

Molecular Formula
C3H4ClN3
SMILES
C1=NNC(=C1Cl)N
InChI
InChI=1S/C3H4ClN3/c4-2-1-6-7-3(2)5/h1H,(H3,5,6,7)
InChIKey
ZQJQHZKZIQYVIK-UHFFFAOYSA-N
Compound name
4-chloro-1H-pyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
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

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Patent stripe

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