CID 10177784

448895-37-2

Structural Information

Molecular Formula
C15H10F6N2O3
SMILES
C1=CC(=C(C=C1C(F)(F)F)NC(=O)NC2=C(C=CC(=C2)C(F)(F)F)O)O
InChI
InChI=1S/C15H10F6N2O3/c16-14(17,18)7-1-3-11(24)9(5-7)22-13(26)23-10-6-8(15(19,20)21)2-4-12(10)25/h1-6,24-25H,(H2,22,23,26)
InChIKey
NJFVQMRYJZHGME-UHFFFAOYSA-N
Compound name
1,3-bis[2-hydroxy-5-(trifluoromethyl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

34
References

28
Patents

380.05957 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.06685 178.6
[M+Na]+ 403.04879 186.9
[M-H]- 379.05229 175.8
[M+NH4]+ 398.09339 188.6
[M+K]+ 419.02273 181.5
[M+H-H2O]+ 363.05683 166.6
[M+HCOO]- 425.05777 191.7
[M+CH3COO]- 439.07342 216.3
[M+Na-2H]- 401.03424 180.2
[M]+ 380.05902 169.0
[M]- 380.06012 169.0
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