CID 690744

36108-11-9

Structural Information

Molecular Formula
C11H7F6N5
SMILES
C1=CC(=CC(=C1)NC2=NC(=NC(=N2)N)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C11H7F6N5/c12-10(13,14)5-2-1-3-6(4-5)19-9-21-7(11(15,16)17)20-8(18)22-9/h1-4H,(H3,18,19,20,21,22)
InChIKey
BWAMPMQJCLPKTR-UHFFFAOYSA-N
Compound name
6-(trifluoromethyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

323.06058 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.06786 167.7
[M+Na]+ 346.04980 178.1
[M-H]- 322.05330 163.3
[M+NH4]+ 341.09440 177.2
[M+K]+ 362.02374 171.6
[M+H-H2O]+ 306.05784 153.6
[M+HCOO]- 368.05878 180.6
[M+CH3COO]- 382.07443 210.1
[M+Na-2H]- 344.03525 173.0
[M]+ 323.06003 157.9
[M]- 323.06113 157.9
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

patents stripe