CID 240817

2-chloroethylurea

Structural Information

Molecular Formula
C3H7ClN2O
SMILES
C(CCl)NC(=O)N
InChI
InChI=1S/C3H7ClN2O/c4-1-2-6-3(5)7/h1-2H2,(H3,5,6,7)
InChIKey
BITBMHVXCILUEX-UHFFFAOYSA-N
Compound name
2-chloroethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1189
Patents

122.02469 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.03197 122.2
[M+Na]+ 145.01391 129.8
[M-H]- 121.01741 122.2
[M+NH4]+ 140.05851 144.5
[M+K]+ 160.98785 127.9
[M+H-H2O]+ 105.02195 118.4
[M+HCOO]- 167.02289 143.3
[M+CH3COO]- 181.03854 172.1
[M+Na-2H]- 142.99936 128.3
[M]+ 122.02414 121.4
[M]- 122.02524 121.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe