CID 4668997

1-bromo-4-(cyclopropylidenemethyl)benzene

Structural Information

Molecular Formula
C10H9Br
SMILES
C1CC1=CC2=CC=C(C=C2)Br
InChI
InChI=1S/C10H9Br/c11-10-5-3-9(4-6-10)7-8-1-2-8/h3-7H,1-2H2
InChIKey
PTUPKAQCJHFMOG-UHFFFAOYSA-N
Compound name
1-bromo-4-(cyclopropylidenemethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.98875 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.99603 136.5
[M+Na]+ 230.97797 149.9
[M-H]- 206.98147 146.7
[M+NH4]+ 226.02257 154.7
[M+K]+ 246.95191 138.3
[M+H-H2O]+ 190.98601 136.3
[M+HCOO]- 252.98695 159.1
[M+CH3COO]- 267.00260 186.3
[M+Na-2H]- 228.96342 145.0
[M]+ 207.98820 155.2
[M]- 207.98930 155.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.