CID 10275455

Bistrifluron

Structural Information

Molecular Formula
C16H7ClF8N2O2
SMILES
C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=CC(=C2Cl)C(F)(F)F)C(F)(F)F)F
InChI
InChI=1S/C16H7ClF8N2O2/c17-12-7(16(23,24)25)4-6(15(20,21)22)5-10(12)26-14(29)27-13(28)11-8(18)2-1-3-9(11)19/h1-5H,(H2,26,27,28,29)
InChIKey
YNKFZRGTXAPYFD-UHFFFAOYSA-N
Compound name
N-[[2-chloro-3,5-bis(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

19861
Patents

446.00684 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.01412 193.2
[M+Na]+ 468.99606 195.8
[M+NH4]+ 464.04066 192.9
[M+K]+ 484.97000 192.6
[M-H]- 444.99956 187.1
[M+Na-2H]- 466.98151 192.3
[M]+ 446.00629 191.5
[M]- 446.00739 191.5
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

patents stripe