CID 47002125

2-chloro-n-{phenyl[2-(trifluoromethyl)-1h-1,3-benzodiazol-5-yl]methyl}acetamide

Structural Information

Molecular Formula
C17H13ClF3N3O
SMILES
C1=CC=C(C=C1)C(C2=CC3=C(C=C2)N=C(N3)C(F)(F)F)NC(=O)CCl
InChI
InChI=1S/C17H13ClF3N3O/c18-9-14(25)24-15(10-4-2-1-3-5-10)11-6-7-12-13(8-11)23-16(22-12)17(19,20)21/h1-8,15H,9H2,(H,22,23)(H,24,25)
InChIKey
XOPMOURJFBEDNH-UHFFFAOYSA-N
Compound name
2-chloro-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.06992 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.07720 178.9
[M+Na]+ 390.05914 188.0
[M-H]- 366.06264 179.1
[M+NH4]+ 385.10374 191.1
[M+K]+ 406.03308 180.0
[M+H-H2O]+ 350.06718 168.2
[M+HCOO]- 412.06812 190.1
[M+CH3COO]- 426.08377 211.9
[M+Na-2H]- 388.04459 181.9
[M]+ 367.06937 177.4
[M]- 367.07047 177.4
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.