CID 79886112

N-methyl-n-(2,2,2-trifluoroethyl)carbamoyl chloride

Structural Information

Molecular Formula
C4H5ClF3NO
SMILES
CN(CC(F)(F)F)C(=O)Cl
InChI
InChI=1S/C4H5ClF3NO/c1-9(3(5)10)2-4(6,7)8/h2H2,1H3
InChIKey
QOKZVYAZXUDYIX-UHFFFAOYSA-N
Compound name
N-methyl-N-(2,2,2-trifluoroethyl)carbamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.00117 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.008446 126.8
[M+Na]+ 197.990388 135.7
[M-H]- 173.993894 125.1
[M+NH4]+ 193.034993 148.3
[M+K]+ 213.964328 134.5
[M+H-H2O]+ 157.998430 120.9
[M+HCOO]- 219.999371 143.1
[M+CH3COO]- 234.015021 182.5
[M+Na-2H]- 195.975836 131.8
[M]+ 175.00062142 125.4
[M]- 175.00171858 125.4
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.