CID 129963438

1-[5-chloro-1-methyl-3-(trifluoromethyl)-1h-pyrazol-4-yl]methanamine hydrochloride

Structural Information

Molecular Formula
C6H7ClF3N3
SMILES
CN1C(=C(C(=N1)C(F)(F)F)CN)Cl
InChI
InChI=1S/C6H7ClF3N3/c1-13-5(7)3(2-11)4(12-13)6(8,9)10/h2,11H2,1H3
InChIKey
NBMXCLLRKMGMJY-UHFFFAOYSA-N
Compound name
[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

213.02806 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.03534 138.5
[M+Na]+ 236.01728 150.3
[M-H]- 212.02078 136.0
[M+NH4]+ 231.06188 157.4
[M+K]+ 251.99122 145.8
[M+H-H2O]+ 196.02532 130.3
[M+HCOO]- 258.02626 153.1
[M+CH3COO]- 272.04191 187.1
[M+Na-2H]- 234.00273 141.5
[M]+ 213.02751 136.0
[M]- 213.02861 136.0
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