CID 2760778

221313-11-7

Structural Information

Molecular Formula
C7H6F3N3
SMILES
C1=CC(=NC=C1C(=N)N)C(F)(F)F
InChI
InChI=1S/C7H6F3N3/c8-7(9,10)5-2-1-4(3-13-5)6(11)12/h1-3H,(H3,11,12)
InChIKey
HEJHFZBJXIMGQF-UHFFFAOYSA-N
Compound name
6-(trifluoromethyl)pyridine-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

189.05138 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.05866 134.6
[M+Na]+ 212.04060 142.8
[M-H]- 188.04410 133.0
[M+NH4]+ 207.08520 152.1
[M+K]+ 228.01454 139.7
[M+H-H2O]+ 172.04864 125.7
[M+HCOO]- 234.04958 154.4
[M+CH3COO]- 248.06523 186.0
[M+Na-2H]- 210.02605 140.4
[M]+ 189.05083 126.7
[M]- 189.05193 126.7
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