CID 3054076

Brn 2950901

Structural Information

Molecular Formula
C13H14ClF3N2O3
SMILES
CC(C)(C(=O)OC)NC(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F
InChI
InChI=1S/C13H14ClF3N2O3/c1-12(2,10(20)22-3)19-11(21)18-7-4-5-9(14)8(6-7)13(15,16)17/h4-6H,1-3H3,(H2,18,19,21)
InChIKey
SPEYUSRXPOAHEC-UHFFFAOYSA-N
Compound name
methyl 2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

338.0645 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.07178 170.0
[M+Na]+ 361.05372 177.7
[M-H]- 337.05722 170.1
[M+NH4]+ 356.09832 184.3
[M+K]+ 377.02766 174.1
[M+H-H2O]+ 321.06176 162.4
[M+HCOO]- 383.06270 183.7
[M+CH3COO]- 397.07835 211.8
[M+Na-2H]- 359.03917 172.7
[M]+ 338.06395 169.6
[M]- 338.06505 169.6
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

patents stripe