CID 2736103

3,5-bis(trifluoromethyl)benzamidoxime

Structural Information

Molecular Formula
C9H6F6N2O
SMILES
C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=NO)N
InChI
InChI=1S/C9H6F6N2O/c10-8(11,12)5-1-4(7(16)17-18)2-6(3-5)9(13,14)15/h1-3,18H,(H2,16,17)
InChIKey
GGAPMNUHESBFNK-UHFFFAOYSA-N
Compound name
N'-hydroxy-3,5-bis(trifluoromethyl)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

272.03842 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.04570 165.0
[M+Na]+ 295.02764 168.5
[M+NH4]+ 290.07224 166.5
[M+K]+ 311.00158 165.6
[M-H]- 271.03114 158.5
[M+Na-2H]- 293.01309 165.1
[M]+ 272.03787 163.1
[M]- 272.03897 163.1
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