CID 72218466

1-bromo-3-(2,2-difluorocyclopropyl)benzene

Structural Information

Molecular Formula
C9H7BrF2
SMILES
C1C(C1(F)F)C2=CC(=CC=C2)Br
InChI
InChI=1S/C9H7BrF2/c10-7-3-1-2-6(4-7)8-5-9(8,11)12/h1-4,8H,5H2
InChIKey
CTRHNTQRQHKOLH-UHFFFAOYSA-N
Compound name
1-bromo-3-(2,2-difluorocyclopropyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

231.96992 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.97720 137.3
[M+Na]+ 254.95914 152.1
[M-H]- 230.96264 145.7
[M+NH4]+ 250.00374 156.5
[M+K]+ 270.93308 141.1
[M+H-H2O]+ 214.96718 136.5
[M+HCOO]- 276.96812 157.8
[M+CH3COO]- 290.98377 190.4
[M+Na-2H]- 252.94459 145.4
[M]+ 231.96937 155.2
[M]- 231.97047 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

No literature data available for this compound.

Patent stripe

patents stripe