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 150.7
[M+Na]+ 295.02764 159.6
[M-H]- 271.03114 146.7
[M+NH4]+ 290.07224 166.2
[M+K]+ 311.00158 155.9
[M+H-H2O]+ 255.03568 140.1
[M+HCOO]- 317.03662 166.3
[M+CH3COO]- 331.05227 200.5
[M+Na-2H]- 293.01309 153.6
[M]+ 272.03787 140.1
[M]- 272.03897 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