CID 51033251

1263303-84-9

Structural Information

Molecular Formula
C10H6F3N3O2
SMILES
C1=CC(=CC=C1C(F)(F)F)NC(=O)/C(=N/O)/C#N
InChI
InChI=1S/C10H6F3N3O2/c11-10(12,13)6-1-3-7(4-2-6)15-9(17)8(5-14)16-18/h1-4,18H,(H,15,17)/b16-8+
InChIKey
QCANERAOMDIKFF-LZYBPNLTSA-N
Compound name
(2E)-2-cyano-2-hydroxyimino-N-[4-(trifluoromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

257.0412 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.04848 154.0
[M+Na]+ 280.03042 162.1
[M-H]- 256.03392 153.3
[M+NH4]+ 275.07502 168.0
[M+K]+ 296.00436 159.8
[M+H-H2O]+ 240.03846 138.7
[M+HCOO]- 302.03940 170.8
[M+CH3COO]- 316.05505 207.8
[M+Na-2H]- 278.01587 157.1
[M]+ 257.04065 143.9
[M]- 257.04175 143.9
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.