CID 115489

63980-72-3

Structural Information

Molecular Formula
C12H22Br2N2O2
SMILES
C(CCCCC(=O)NC(=O)N)CCCC(CBr)Br
InChI
InChI=1S/C12H22Br2N2O2/c13-9-10(14)7-5-3-1-2-4-6-8-11(17)16-12(15)18/h10H,1-9H2,(H3,15,16,17,18)
InChIKey
IMDWCJWGZUWUAL-UHFFFAOYSA-N
Compound name
10,11-dibromo-N-carbamoylundecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.0048 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.01208 170.8
[M+Na]+ 406.99402 176.5
[M-H]- 382.99752 172.7
[M+NH4]+ 402.03862 185.6
[M+K]+ 422.96796 159.1
[M+H-H2O]+ 367.00206 174.7
[M+HCOO]- 429.00300 183.7
[M+CH3COO]- 443.01865 219.8
[M+Na-2H]- 404.97947 171.3
[M]+ 384.00425 203.4
[M]- 384.00535 203.4
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.