CID 25247855

2-(4-bromo-1h-pyrazol-1-yl)aniline hydrochloride

Structural Information

Molecular Formula
C9H8BrN3
SMILES
C1=CC=C(C(=C1)N)N2C=C(C=N2)Br
InChI
InChI=1S/C9H8BrN3/c10-7-5-12-13(6-7)9-4-2-1-3-8(9)11/h1-6H,11H2
InChIKey
KGSHTTGFAAHMLS-UHFFFAOYSA-N
Compound name
2-(4-bromopyrazol-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.99016 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.99744 147.4
[M+Na]+ 259.97938 151.2
[M+NH4]+ 255.02398 152.2
[M+K]+ 275.95332 152.1
[M-H]- 235.98288 149.2
[M+Na-2H]- 257.96483 152.2
[M]+ 236.98961 147.2
[M]- 236.99071 147.2
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.

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No patent data available for this compound.