CID 294116

102433-52-3

Structural Information

Molecular Formula
C12H15ClN2O
SMILES
C1CC2=C(C1)C=C(C=C2)NC(=O)NCCCl
InChI
InChI=1S/C12H15ClN2O/c13-6-7-14-12(16)15-11-5-4-9-2-1-3-10(9)8-11/h4-5,8H,1-3,6-7H2,(H2,14,15,16)
InChIKey
WUWJEVPZOURBII-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-(2,3-dihydro-1H-inden-5-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

8
Patents

238.0873 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.094576 153.6
[M+Na]+ 261.076518 160.1
[M-H]- 237.080024 157.5
[M+NH4]+ 256.121123 174.4
[M+K]+ 277.050458 155.4
[M+H-H2O]+ 221.084560 148.0
[M+HCOO]- 283.085501 173.2
[M+CH3COO]- 297.101151 193.4
[M+Na-2H]- 259.061966 158.2
[M]+ 238.08675142 153.6
[M]- 238.08784858 153.6
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