CID 2741182

Maybridge1_007904

Structural Information

Molecular Formula
C18H11ClF3N3O3
SMILES
C1=CC(=CC=C1NN=CC2=CC=C(O2)C3=C(C=CC(=C3)C(F)(F)F)Cl)[N+](=O)[O-]
InChI
InChI=1S/C18H11ClF3N3O3/c19-16-7-1-11(18(20,21)22)9-15(16)17-8-6-14(28-17)10-23-24-12-2-4-13(5-3-12)25(26)27/h1-10,24H
InChIKey
DGMDQDIKEQSUME-UHFFFAOYSA-N
Compound name
N-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-4-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.0441 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.05138 191.6
[M+Na]+ 432.03332 199.2
[M-H]- 408.03682 199.7
[M+NH4]+ 427.07792 202.4
[M+K]+ 448.00726 189.7
[M+H-H2O]+ 392.04136 185.3
[M+HCOO]- 454.04230 211.0
[M+CH3COO]- 468.05795 220.1
[M+Na-2H]- 430.01877 196.8
[M]+ 409.04355 190.9
[M]- 409.04465 190.9
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

No patent data available for this compound.