CID 13683392

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

Structural Information

Molecular Formula
C8H7BrF2
SMILES
C1=CC=C(C=C1)C(CBr)(F)F
InChI
InChI=1S/C8H7BrF2/c9-6-8(10,11)7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
MOAOYTRHHQMNAF-UHFFFAOYSA-N
Compound name
(2-bromo-1,1-difluoroethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

219.96992 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.97720 139.5
[M+Na]+ 242.95914 151.2
[M-H]- 218.96264 143.4
[M+NH4]+ 238.00374 161.5
[M+K]+ 258.93308 140.0
[M+H-H2O]+ 202.96718 138.9
[M+HCOO]- 264.96812 158.4
[M+CH3COO]- 278.98377 184.8
[M+Na-2H]- 240.94459 148.2
[M]+ 219.96937 155.0
[M]- 219.97047 155.0
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

patents stripe