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]+ 176.00845 126.8
[M+Na]+ 197.99039 135.7
[M-H]- 173.99389 125.1
[M+NH4]+ 193.03499 148.3
[M+K]+ 213.96433 134.5
[M+H-H2O]+ 157.99843 120.9
[M+HCOO]- 219.99937 143.1
[M+CH3COO]- 234.01502 182.5
[M+Na-2H]- 195.97584 131.8
[M]+ 175.00062 125.4
[M]- 175.00172 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.