CID 64111631

4-(trifluoromethyl)-1h-imidazol-2-amine hydrochloride

Structural Information

Molecular Formula
C4H4F3N3
SMILES
C1=C(NC(=N1)N)C(F)(F)F
InChI
InChI=1S/C4H4F3N3/c5-4(6,7)2-1-9-3(8)10-2/h1H,(H3,8,9,10)
InChIKey
AEXXVFQSEUSKMG-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)-1H-imidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

151.03574 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.04302 123.6
[M+Na]+ 174.02496 133.3
[M-H]- 150.02846 119.6
[M+NH4]+ 169.06956 142.9
[M+K]+ 189.99890 130.5
[M+H-H2O]+ 134.03300 115.1
[M+HCOO]- 196.03394 142.1
[M+CH3COO]- 210.04959 172.3
[M+Na-2H]- 172.01041 129.2
[M]+ 151.03519 116.1
[M]- 151.03629 116.1
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