CID 3025304

102434-19-5

Structural Information

Molecular Formula
C13H12Br2N2O
SMILES
C1=CC=C2C=C(C(=CC2=C1)NC(=O)NCCBr)Br
InChI
InChI=1S/C13H12Br2N2O/c14-5-6-16-13(18)17-12-8-10-4-2-1-3-9(10)7-11(12)15/h1-4,7-8H,5-6H2,(H2,16,17,18)
InChIKey
KKRWNOZAVONGKE-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-3-(3-bromonaphthalen-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.93164 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.93892 159.7
[M+Na]+ 392.92086 168.1
[M-H]- 368.92436 166.3
[M+NH4]+ 387.96546 176.5
[M+K]+ 408.89480 151.7
[M+H-H2O]+ 352.92890 165.6
[M+HCOO]- 414.92984 175.6
[M+CH3COO]- 428.94549 216.7
[M+Na-2H]- 390.90631 166.6
[M]+ 369.93109 192.6
[M]- 369.93219 192.6
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.