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

127
Patents

188.05614 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.063416 134.6
[M+Na]+ 211.045358 142.4
[M-H]- 187.048864 134.2
[M+NH4]+ 206.089963 153.4
[M+K]+ 227.019298 139.2
[M+H-H2O]+ 171.053400 126.5
[M+HCOO]- 233.054341 155.3
[M+CH3COO]- 247.069991 186.4
[M+Na-2H]- 209.030806 139.7
[M]+ 188.05559142 126.5
[M]- 188.05668858 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