CID 11130163

N'-(cyclopropylmethoxy)-2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide

Structural Information

Molecular Formula
C12H11F5N2O
SMILES
C1CC1CO/N=C(\C2=C(C=CC(=C2F)F)C(F)(F)F)/N
InChI
InChI=1S/C12H11F5N2O/c13-8-4-3-7(12(15,16)17)9(10(8)14)11(18)19-20-5-6-1-2-6/h3-4,6H,1-2,5H2,(H2,18,19)
InChIKey
GATGRGDKTXQMNK-UHFFFAOYSA-N
Compound name
N'-(cyclopropylmethoxy)-2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

294.07916 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.08644 149.8
[M+Na]+ 317.06838 159.6
[M-H]- 293.07188 152.1
[M+NH4]+ 312.11298 160.6
[M+K]+ 333.04232 154.6
[M+H-H2O]+ 277.07642 138.6
[M+HCOO]- 339.07736 169.3
[M+CH3COO]- 353.09301 211.0
[M+Na-2H]- 315.05383 152.1
[M]+ 294.07861 146.3
[M]- 294.07971 146.3
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

No patent data available for this compound.