CID 137952161

(4-bromo-5-chloro-1-methyl-1h-pyrazol-3-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C5H7BrClN3
SMILES
CN1C(=C(C(=N1)CN)Br)Cl
InChI
InChI=1S/C5H7BrClN3/c1-10-5(7)4(6)3(2-8)9-10/h2,8H2,1H3
InChIKey
IHNPIGLOIMXJNZ-UHFFFAOYSA-N
Compound name
(4-bromo-5-chloro-1-methylpyrazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.95119 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.95847 136.1
[M+Na]+ 245.94041 151.1
[M-H]- 221.94391 140.2
[M+NH4]+ 240.98501 158.3
[M+K]+ 261.91435 138.4
[M+H-H2O]+ 205.94845 135.8
[M+HCOO]- 267.94939 153.5
[M+CH3COO]- 281.96504 186.4
[M+Na-2H]- 243.92586 141.9
[M]+ 222.95064 155.7
[M]- 222.95174 155.7
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

No patent data available for this compound.