CID 204744

Wv 0021

Structural Information

Molecular Formula
C14H21Br2NO
SMILES
CC1=C(C=C(C(=C1Br)OCCN(C)C)C(C)C)Br
InChI
InChI=1S/C14H21Br2NO/c1-9(2)11-8-12(15)10(3)13(16)14(11)18-7-6-17(4)5/h8-9H,6-7H2,1-5H3
InChIKey
UWNKMVNKTLDSHF-UHFFFAOYSA-N
Compound name
2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.999 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.00628 164.5
[M+Na]+ 399.98822 174.2
[M-H]- 375.99172 172.0
[M+NH4]+ 395.03282 181.8
[M+K]+ 415.96216 158.8
[M+H-H2O]+ 359.99626 170.5
[M+HCOO]- 421.99720 179.8
[M+CH3COO]- 436.01285 223.2
[M+Na-2H]- 397.97367 166.7
[M]+ 376.99845 201.2
[M]- 376.99955 201.2
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.