CID 324537

3-(trifluoromethyl)benzene-1-carboximidamide hydrochloride

Structural Information

Molecular Formula
C8H7F3N2
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C(=N)N
InChI
InChI=1S/C8H7F3N2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H3,12,13)
InChIKey
QDVHJZUOARUZME-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

146
Patents

188.05614 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.06342 134.6
[M+Na]+ 211.04536 142.4
[M-H]- 187.04886 134.2
[M+NH4]+ 206.08996 153.4
[M+K]+ 227.01930 139.2
[M+H-H2O]+ 171.05340 126.5
[M+HCOO]- 233.05434 155.3
[M+CH3COO]- 247.06999 186.4
[M+Na-2H]- 209.03081 139.7
[M]+ 188.05559 126.5
[M]- 188.05669 126.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe