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]+ 223.958466 136.1
[M+Na]+ 245.940408 151.1
[M-H]- 221.943914 140.2
[M+NH4]+ 240.985013 158.3
[M+K]+ 261.914348 138.4
[M+H-H2O]+ 205.948450 135.8
[M+HCOO]- 267.949391 153.5
[M+CH3COO]- 281.965041 186.4
[M+Na-2H]- 243.925856 141.9
[M]+ 222.95064142 155.7
[M]- 222.95173858 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.