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

32
Patents

272.03842 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.045696 150.7
[M+Na]+ 295.027638 159.6
[M-H]- 271.031144 146.7
[M+NH4]+ 290.072243 166.2
[M+K]+ 311.001578 155.9
[M+H-H2O]+ 255.035680 140.1
[M+HCOO]- 317.036621 166.3
[M+CH3COO]- 331.052271 200.5
[M+Na-2H]- 293.013086 153.6
[M]+ 272.03787142 140.1
[M]- 272.03896858 140.1
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