CID 84654264

5-bromo-1h-pyrazole-4-carbonitrile

Structural Information

Molecular Formula
C4H2BrN3
SMILES
C1=NNC(=C1C#N)Br
InChI
InChI=1S/C4H2BrN3/c5-4-3(1-6)2-7-8-4/h2H,(H,7,8)
InChIKey
DGIXZUREPHIFMM-UHFFFAOYSA-N
Compound name
5-bromo-1H-pyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

170.9432 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.95048 132.6
[M+Na]+ 193.93242 135.6
[M+NH4]+ 188.97702 134.3
[M+K]+ 209.90636 134.3
[M-H]- 169.93592 125.4
[M+Na-2H]- 191.91787 133.3
[M]+ 170.94265 129.1
[M]- 170.94375 129.1
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