CID 2731137

Ijwwptxoommuro-uhfffaoysa-n

Structural Information

Molecular Formula
C18H11ClF3N5O
SMILES
CC1=C(C(=NO1)C2=CC=CC=C2Cl)C3=NN=NN3C4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C18H11ClF3N5O/c1-10-15(16(24-28-10)13-7-2-3-8-14(13)19)17-23-25-26-27(17)12-6-4-5-11(9-12)18(20,21)22/h2-9H,1H3
InChIKey
IJWWPTXOOMMURO-UHFFFAOYSA-N
Compound name
3-(2-chlorophenyl)-5-methyl-4-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

405.06042 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.067696 189.0
[M+Na]+ 428.049638 202.8
[M-H]- 404.053144 194.2
[M+NH4]+ 423.094243 196.1
[M+K]+ 444.023578 195.1
[M+H-H2O]+ 388.057680 175.0
[M+HCOO]- 450.058621 200.1
[M+CH3COO]- 464.074271 198.9
[M+Na-2H]- 426.035086 189.1
[M]+ 405.05987142 192.2
[M]- 405.06096858 192.2
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

No patent data available for this compound.