CID 137964092

2225141-19-3

Structural Information

Molecular Formula
C6H7F3IN3
SMILES
CN1C(=C(C(=N1)C(F)(F)F)I)CN
InChI
InChI=1S/C6H7F3IN3/c1-13-3(2-11)4(10)5(12-13)6(7,8)9/h2,11H2,1H3
InChIKey
DCLARABUARYJEJ-UHFFFAOYSA-N
Compound name
[4-iodo-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.96368 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.97096 142.9
[M+Na]+ 327.95290 146.6
[M-H]- 303.95640 134.1
[M+NH4]+ 322.99750 156.7
[M+K]+ 343.92684 149.7
[M+H-H2O]+ 287.96094 130.9
[M+HCOO]- 349.96188 157.1
[M+CH3COO]- 363.97753 194.4
[M+Na-2H]- 325.93835 134.4
[M]+ 304.96313 136.6
[M]- 304.96423 136.6
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.