CID 93316

Dtxsid6073570

Structural Information

Molecular Formula
C16H9F6N5
SMILES
C1=CC(=CC=C1C(F)(F)F)NN=C(C#N)N=NC2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C16H9F6N5/c17-15(18,19)10-1-5-12(6-2-10)24-26-14(9-23)27-25-13-7-3-11(4-8-13)16(20,21)22/h1-8,24H
InChIKey
IAXHFRVHDQLUHE-UHFFFAOYSA-N
Compound name
1-cyano-N'-[4-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]iminomethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.0762 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.08348 184.8
[M+Na]+ 408.06542 192.8
[M-H]- 384.06892 185.6
[M+NH4]+ 403.11002 194.7
[M+K]+ 424.03936 188.3
[M+H-H2O]+ 368.07346 164.4
[M+HCOO]- 430.07440 202.3
[M+CH3COO]- 444.09005 238.7
[M+Na-2H]- 406.05087 188.1
[M]+ 385.07565 172.3
[M]- 385.07675 172.3
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