CID 307484

216142-84-6

Structural Information

Molecular Formula
C13H12F6N2O4
SMILES
CC1=C(C=C(C=C1)NC(=O)OCC(F)(F)F)NC(=O)OCC(F)(F)F
InChI
InChI=1S/C13H12F6N2O4/c1-7-2-3-8(20-10(22)24-5-12(14,15)16)4-9(7)21-11(23)25-6-13(17,18)19/h2-4H,5-6H2,1H3,(H,20,22)(H,21,23)
InChIKey
NFCSOMUIDKOUFP-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl N-[2-methyl-5-(2,2,2-trifluoroethoxycarbonylamino)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

374.07013 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.07741 176.1
[M+Na]+ 397.05935 183.1
[M-H]- 373.06285 172.1
[M+NH4]+ 392.10395 187.6
[M+K]+ 413.03329 180.8
[M+H-H2O]+ 357.06739 164.3
[M+HCOO]- 419.06833 191.0
[M+CH3COO]- 433.08398 217.3
[M+Na-2H]- 395.04480 177.5
[M]+ 374.06958 170.7
[M]- 374.07068 170.7
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