CID 9951955

Nelonemdaz

Structural Information

Molecular Formula
C15H8F7NO3
SMILES
C1=CC(=C(C=C1NCC2=C(C(=C(C(=C2F)F)C(F)(F)F)F)F)C(=O)O)O
InChI
InChI=1S/C15H8F7NO3/c16-10-7(11(17)13(19)9(12(10)18)15(20,21)22)4-23-5-1-2-8(24)6(3-5)14(25)26/h1-3,23-24H,4H2,(H,25,26)
InChIKey
HABROHXUHNHQMY-UHFFFAOYSA-N
Compound name
2-hydroxy-5-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]methylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

168
Patents

383.03925 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.04653 178.3
[M+Na]+ 406.02847 189.6
[M-H]- 382.03197 174.9
[M+NH4]+ 401.07307 189.0
[M+K]+ 422.00241 183.2
[M+H-H2O]+ 366.03651 165.7
[M+HCOO]- 428.03745 190.6
[M+CH3COO]- 442.05310 219.2
[M+Na-2H]- 404.01392 175.6
[M]+ 383.03870 170.1
[M]- 383.03980 170.1
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