CID 3049451

Mc 9761

Structural Information

Molecular Formula
C11H11ClF2N2O3
SMILES
CC1=C(C=CC(=C1)OC(=O)NC)NC(=O)C(F)(F)Cl
InChI
InChI=1S/C11H11ClF2N2O3/c1-6-5-7(19-10(18)15-2)3-4-8(6)16-9(17)11(12,13)14/h3-5H,1-2H3,(H,15,18)(H,16,17)
InChIKey
FJMLXADCKBVTLN-UHFFFAOYSA-N
Compound name
[4-[(2-chloro-2,2-difluoroacetyl)amino]-3-methylphenyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

292.04263 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.04991 159.0
[M+Na]+ 315.03185 167.1
[M-H]- 291.03535 160.5
[M+NH4]+ 310.07645 175.1
[M+K]+ 331.00579 163.7
[M+H-H2O]+ 275.03989 152.1
[M+HCOO]- 337.04083 176.0
[M+CH3COO]- 351.05648 203.3
[M+Na-2H]- 313.01730 162.2
[M]+ 292.04208 159.7
[M]- 292.04318 159.7
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