CID 135814815

(4z)-2,8-bis(trifluoromethyl)quinoline-4-carbaldehyde oxime

Structural Information

Molecular Formula
C12H6F6N2O
SMILES
C1=CC2=C(C(=C1)C(F)(F)F)N=C(C=C2/C=N\O)C(F)(F)F
InChI
InChI=1S/C12H6F6N2O/c13-11(14,15)8-3-1-2-7-6(5-19-21)4-9(12(16,17)18)20-10(7)8/h1-5,21H/b19-5-
InChIKey
JSWVMPLMCJGCEK-IPKBDRFQSA-N
Compound name
(NZ)-N-[[2,8-bis(trifluoromethyl)quinolin-4-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.03842 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.04570 162.6
[M+Na]+ 331.02764 173.7
[M-H]- 307.03114 158.8
[M+NH4]+ 326.07224 177.2
[M+K]+ 347.00158 168.1
[M+H-H2O]+ 291.03568 150.8
[M+HCOO]- 353.03662 176.3
[M+CH3COO]- 367.05227 205.5
[M+Na-2H]- 329.01309 168.4
[M]+ 308.03787 155.5
[M]- 308.03897 155.5
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.