CID 10512662

138555-58-5

Structural Information

Molecular Formula
C9H7BrO
SMILES
C1=CC=C(C(=C1)/C=C/C=O)Br
InChI
InChI=1S/C9H7BrO/c10-9-6-2-1-4-8(9)5-3-7-11/h1-7H/b5-3+
InChIKey
NIDKLBQFMCVZKV-HWKANZROSA-N
Compound name
(E)-3-(2-bromophenyl)prop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

197
Patents

209.96803 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.975306 134.4
[M+Na]+ 232.957248 146.6
[M-H]- 208.960754 140.9
[M+NH4]+ 228.001853 157.0
[M+K]+ 248.931188 135.1
[M+H-H2O]+ 192.965290 135.0
[M+HCOO]- 254.966231 157.1
[M+CH3COO]- 268.981881 182.7
[M+Na-2H]- 230.942696 143.0
[M]+ 209.96748142 153.2
[M]- 209.96857858 153.2
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.