CID 116841633

1-bromo-4-[cyclopropyl(difluoro)methyl]benzene

Structural Information

Molecular Formula
C10H9BrF2
SMILES
C1CC1C(C2=CC=C(C=C2)Br)(F)F
InChI
InChI=1S/C10H9BrF2/c11-9-5-3-8(4-6-9)10(12,13)7-1-2-7/h3-7H,1-2H2
InChIKey
XCFJMIGURKUZKD-UHFFFAOYSA-N
Compound name
1-bromo-4-[cyclopropyl(difluoro)methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

245.98557 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.99285 143.6
[M+Na]+ 268.97479 156.8
[M-H]- 244.97829 151.3
[M+NH4]+ 264.01939 160.2
[M+K]+ 284.94873 145.1
[M+H-H2O]+ 228.98283 141.8
[M+HCOO]- 290.98377 162.5
[M+CH3COO]- 304.99942 192.8
[M+Na-2H]- 266.96024 151.2
[M]+ 245.98502 160.4
[M]- 245.98612 160.4
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