CID 11130163

Schembl29408172

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

13
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

patents stripe