CID 44977

Tl 821

Structural Information

Molecular Formula
C5H8ClFN2O3
SMILES
C(CCl)N(C(=O)OCCF)N=O
InChI
InChI=1S/C5H8ClFN2O3/c6-1-3-9(8-11)5(10)12-4-2-7/h1-4H2
InChIKey
KZPSRWCCBAMYKL-UHFFFAOYSA-N
Compound name
2-fluoroethyl N-(2-chloroethyl)-N-nitrosocarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.02075 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.02803 135.9
[M+Na]+ 221.00997 143.6
[M-H]- 197.01347 137.7
[M+NH4]+ 216.05457 156.7
[M+K]+ 236.98391 143.8
[M+H-H2O]+ 181.01801 130.0
[M+HCOO]- 243.01895 158.7
[M+CH3COO]- 257.03460 190.2
[M+Na-2H]- 218.99542 141.5
[M]+ 198.02020 141.2
[M]- 198.02130 141.2
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.