CID 28388

Brn 2398921

Structural Information

Molecular Formula
C16H11ClF3NO3
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC2=C(C=CC(=C2)Cl)CC(=O)O
InChI
InChI=1S/C16H11ClF3NO3/c17-12-5-4-9(7-14(22)23)13(8-12)21-15(24)10-2-1-3-11(6-10)16(18,19)20/h1-6,8H,7H2,(H,21,24)(H,22,23)
InChIKey
IKZXHUOMJXQQBB-UHFFFAOYSA-N
Compound name
2-[4-chloro-2-[[3-(trifluoromethyl)benzoyl]amino]phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.03796 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.04524 174.0
[M+Na]+ 380.02718 182.5
[M-H]- 356.03068 175.9
[M+NH4]+ 375.07178 186.7
[M+K]+ 396.00112 176.4
[M+H-H2O]+ 340.03522 165.1
[M+HCOO]- 402.03616 187.0
[M+CH3COO]- 416.05181 211.1
[M+Na-2H]- 378.01263 175.2
[M]+ 357.03741 172.5
[M]- 357.03851 172.5
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

No patent data available for this compound.