CID 9589289

Brn 4244931

Structural Information

Molecular Formula
C6H9Cl2NO2
SMILES
CC(C)/C(=N/OC(=O)CCl)/Cl
InChI
InChI=1S/C6H9Cl2NO2/c1-4(2)6(8)9-11-5(10)3-7/h4H,3H2,1-2H3/b9-6-
InChIKey
ZDCITHIQVQCZIF-TWGQIWQCSA-N
Compound name
[(Z)-(1-chloro-2-methylpropylidene)amino] 2-chloroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.00104 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.00832 137.5
[M+Na]+ 219.99026 145.5
[M-H]- 195.99376 138.8
[M+NH4]+ 215.03486 158.5
[M+K]+ 235.96420 143.2
[M+H-H2O]+ 179.99830 134.5
[M+HCOO]- 241.99924 152.3
[M+CH3COO]- 256.01489 186.5
[M+Na-2H]- 217.97571 140.5
[M]+ 197.00049 142.1
[M]- 197.00159 142.1
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.