CID 214350

Bms-204352

Structural Information

Molecular Formula
C16H10ClF4NO2
SMILES
COC1=C(C=C(C=C1)Cl)[C@]2(C3=C(C=C(C=C3)C(F)(F)F)NC2=O)F
InChI
InChI=1S/C16H10ClF4NO2/c1-24-13-5-3-9(17)7-11(13)15(18)10-4-2-8(16(19,20)21)6-12(10)22-14(15)23/h2-7H,1H3,(H,22,23)/t15-/m0/s1
InChIKey
ULYONBAOIMCNEH-HNNXBMFYSA-N
Compound name
(3S)-3-(5-chloro-2-methoxyphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

50
References

245
Patents

359.03363 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.04091 174.8
[M+Na]+ 382.02285 187.7
[M-H]- 358.02635 175.8
[M+NH4]+ 377.06745 191.9
[M+K]+ 397.99679 179.8
[M+H-H2O]+ 342.03089 165.6
[M+HCOO]- 404.03183 185.0
[M+CH3COO]- 418.04748 208.9
[M+Na-2H]- 380.00830 176.6
[M]+ 359.03308 173.2
[M]- 359.03418 173.2
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