CID 11806557

159276-58-1

Structural Information

Molecular Formula
C9H7BrF2
SMILES
C=C(CBr)C1=C(C=C(C=C1)F)F
InChI
InChI=1S/C9H7BrF2/c1-6(5-10)8-3-2-7(11)4-9(8)12/h2-4H,1,5H2
InChIKey
VEHMGPJUOWKYRJ-UHFFFAOYSA-N
Compound name
1-(3-bromoprop-1-en-2-yl)-2,4-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

231.96992 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.97720 140.6
[M+Na]+ 254.95914 153.1
[M-H]- 230.96264 144.8
[M+NH4]+ 250.00374 162.5
[M+K]+ 270.93308 141.2
[M+H-H2O]+ 214.96718 139.6
[M+HCOO]- 276.96812 159.8
[M+CH3COO]- 290.98377 189.2
[M+Na-2H]- 252.94459 145.9
[M]+ 231.96937 156.3
[M]- 231.97047 156.3
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