CID 11579732

(e)-5-(3-bromophenyl)pent-4-enoic acid

Structural Information

Molecular Formula
C11H11BrO2
SMILES
C1=CC(=CC(=C1)Br)/C=C/CCC(=O)O
InChI
InChI=1S/C11H11BrO2/c12-10-6-3-5-9(8-10)4-1-2-7-11(13)14/h1,3-6,8H,2,7H2,(H,13,14)/b4-1+
InChIKey
NMLCKFKZMMZHOR-DAFODLJHSA-N
Compound name
(E)-5-(3-bromophenyl)pent-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

253.99425 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.00153 147.4
[M+Na]+ 276.98347 150.2
[M+NH4]+ 272.02807 151.5
[M+K]+ 292.95741 149.9
[M-H]- 252.98697 147.1
[M+Na-2H]- 274.96892 150.1
[M]+ 253.99370 146.4
[M]- 253.99480 146.4
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

patents stripe