CID 50335

2-chloro-2'-iodo-diethylamine

Structural Information

Molecular Formula
C4H9ClIN
SMILES
C(CCl)NCCI
InChI
InChI=1S/C4H9ClIN/c5-1-3-7-4-2-6/h7H,1-4H2
InChIKey
IHESYGNMAPCAHL-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-iodoethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

232.94682 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.95410 134.8
[M+Na]+ 255.93604 135.4
[M-H]- 231.93954 128.3
[M+NH4]+ 250.98064 152.5
[M+K]+ 271.90998 138.9
[M+H-H2O]+ 215.94408 127.4
[M+HCOO]- 277.94502 150.4
[M+CH3COO]- 291.96067 181.8
[M+Na-2H]- 253.92149 129.6
[M]+ 232.94627 133.7
[M]- 232.94737 133.7
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