CID 22240121

1-bromo-3-(1,1-difluoroethyl)benzene

Structural Information

Molecular Formula
C8H7BrF2
SMILES
CC(C1=CC(=CC=C1)Br)(F)F
InChI
InChI=1S/C8H7BrF2/c1-8(10,11)6-3-2-4-7(9)5-6/h2-5H,1H3
InChIKey
NCJAJYPBNUFMQK-UHFFFAOYSA-N
Compound name
1-bromo-3-(1,1-difluoroethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

217
Patents

219.96992 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.97720 138.8
[M+Na]+ 242.95914 151.3
[M-H]- 218.96264 143.0
[M+NH4]+ 238.00374 161.1
[M+K]+ 258.93308 140.1
[M+H-H2O]+ 202.96718 138.3
[M+HCOO]- 264.96812 157.6
[M+CH3COO]- 278.98377 185.8
[M+Na-2H]- 240.94459 146.9
[M]+ 219.96937 154.5
[M]- 219.97047 154.5
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