CID 13846149

16-bromo-7e,15e-hexadecadien-5,13-diynoic acid

Structural Information

Molecular Formula
C16H19BrO2
SMILES
C(CCC#C/C=C/Br)C/C=C/C#CCCCC(=O)O
InChI
InChI=1S/C16H19BrO2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h2,4,13,15H,1,3,5,7,10,12,14H2,(H,18,19)/b4-2+,15-13+
InChIKey
SZAPXCHRVBBPHP-GRRSNZMVSA-N
Compound name
(7E,15E)-16-bromohexadeca-7,15-dien-5,13-diynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.05685 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.06413 166.4
[M+Na]+ 345.04607 177.2
[M-H]- 321.04957 166.0
[M+NH4]+ 340.09067 178.1
[M+K]+ 361.02001 165.2
[M+H-H2O]+ 305.05411 156.7
[M+HCOO]- 367.05505 176.1
[M+CH3COO]- 381.07070 219.4
[M+Na-2H]- 343.03152 166.3
[M]+ 322.05630 171.4
[M]- 322.05740 171.4
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.