CID 3266509

1955498-16-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

188.05614 Da
Monoisotopic Mass

0.8
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

No literature data available for this compound.

Patent stripe

patents stripe