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

304
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 118.7
[M+Na]+ 139.99860 128.8
[M-H]- 116.00210 118.2
[M+NH4]+ 135.04320 140.0
[M+K]+ 155.97254 125.2
[M+H-H2O]+ 100.00664 112.9
[M+HCOO]- 162.00758 137.4
[M+CH3COO]- 176.02323 165.2
[M+Na-2H]- 137.98405 125.1
[M]+ 117.00883 116.4
[M]- 117.00993 116.4
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